Penicillin G
PubChem CID: 5904
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| Compound Synonyms | penicillin g, Benzylpenicillin, 61-33-6, Benzyl penicillin, Benzylpenicillinic acid, Free penicillin II, Pencillin G, Benzylpenicillin G, Bencilpenicilina, Dropcillin, Free penicillin G, Gelacillin, Liquacillin, Pharmacillin, Pradupen, Cilopen, Benzylpenicilline, Specilline G, Benzylpenicillinum, Cilloral, Cosmopen, PenicillinG, Pfizerpen, Free benzylpenicillin, Benzopenicillin, bensylpenicillin, (5R,6R)-Benzylpenicillin, 6-(2-Phenylacetamido)penicillanic acid, Penicillin, (phenylmethyl)-, benzyl benicillin, Galofak, Compocillin G, Penicillin-G potassium, CHEBI:18208, HSDB 3166, Benzylpenicillinum [Latin], Penicillinic acid, (phenylmethyl)-, Phenylacetamidopenicillanic acid, EINECS 200-506-3, UNII-Q42T66VG0C, NSC 193396, BRN 0044740, Q42T66VG0C, (2S,5R,6R)-3,3-Dimethyl-7-oxo-6-(2-phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, (Phenylmethyl)penicillin, Benzyl-6-aminopenicillinic acid, Penicillinic acid, benzyl-, NSC-193396, DTXSID5046934, Ursopen, J01CE01, 4-27-00-05861 (Beilstein Handbook Reference), (Phenylmethyl)penicillinic acid, (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-((phenylacetyl)amino)- (2S-(2alpha,5alpha,6beta))-, Benzylpenicillin (INN), Benzylpenicillinum (Latin), (2S,5R,6R)-3,3-Dimethyl-7-oxo-6-(2-phenylacetamido)-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, (2S,5R,6R)-3,3-dimethyl-7-oxo-6-(phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-, BENZYLPENICILLIN [INN], BENZYLPENICILLIN (MART.), BENZYLPENICILLIN [MART.], Cillora, Bencilpenicilina [Spanish], Benzylpenicilline [French], Benzylpenicillin [INN:BAN], 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]- [2S-(2alpha,5alpha,6beta)]-, SMR000538912, PHENOXYMETHYLPENICILLIN IMPURITY A (EP IMPURITY), PHENOXYMETHYLPENICILLIN IMPURITY A [EP IMPURITY], NSC193396, Penicillin,(S), 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-, PENICILLIN-G, NSC131815, Spectrum_000933, CHEMBL29, Prestwick0_001078, Prestwick1_001078, Prestwick2_001078, Prestwick3_001078, Spectrum2_000518, Spectrum3_000542, Spectrum4_000471, Spectrum5_001108, Epitope ID:114070, PENICILLIN G [MI], SCHEMBL3783, PENICILLIN G [HSDB], BSPBio_001096, BSPBio_002183, KBioGR_000942, KBioSS_001413, PENICILLIN G [VANDF], 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-((phenylacetyl)amino)-, (2S-(2alpha,5alpha,6beta))-, MLS000766897, MLS001032123, MLS001173382, DivK1c_000316, SPBio_000475, SPBio_002998, BPBio1_001206, GTPL4796, DTXCID3026934, KBio1_000316, KBio2_001413, KBio2_003981, KBio2_006549, KBio3_001683, BENZYLPENICILLIN [WHO-DD], NINDS_000316, GLXC-25718, HMS2875L09, HY-N7139, BDBM50022787, Phenylacetyl-6-aminopenicillanic acid, AKOS005203091, DB01053, IDI1_000316, NCGC00159348-02, NCGC00159348-03, 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6- (2-phenylacetamido)-, 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]- (2S,5R,6R)-, FP148625, SBI-0051476.P003, (2S,5R,6R)-3,3-dimethyl-7-oxo-6-, Bicillin (*Benzathine Salt, Tetrahydrate*), CS-0013727, NS00068016, C05551, D02336, (2-phenylacetamido)-4-thia-1-azabicyclo[3.2.0], EN300-19631164, Q258450, Benzylpenicillin 1000 microg/mL in Acetonitrile:Water, BRD-K55191674-236-03-7, BRD-K55191674-236-06-0, BRD-K55191674-236-07-8, BRD-K55191674-237-02-7, BRD-K55191674-237-12-6, BRD-K55191674-237-18-3, 2,2-dimethyl-6beta-(phenylacetamido)penam-3alpha-carboxylic acid, PHENOXYMETHYLPENICILLIN POTASSIUM IMPURITY A [EP IMPURITY], PHENOXYMETHYLPENICILLIN (BENZATHINE) TETRAHYDRATE IMPURITY A [EP IMPURITY], (+)-3,3-Dimethyl-7-oxo-6-phenylacetylamino-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid(penicillin G), (2S,5R,6R)-3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid, (2S,5R,6R)-3,3-Dimethyl-7-oxo-6-(2-phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid, (2S,5R,6R)-3,3-DIMETHYL-7-OXO-6-[(PHENYLACETYL)AMINO]-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID, (2S,5R,6R)-3,3-Dimethyl-7-oxo-6-phenylacetylamino-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid, (2S,6R)-3,3-Dimethyl-7-oxo-6-(2-phenylacetamido)-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid, 200-506-3, 3,3-Dimethyl-7-oxo-6-phenylacetylamino-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-Dimethyl-7-oxo-6-phenylacetylamino-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid anion (Penicillin G), 3,3-Dimethyl-7-oxo-6-phenylacetylamino-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid(penicillin G), 4,1-Thiaazabicyclo[3.2.0]heptane-2-carboxylic acid, 6-benzylcarbonylamino-3,3-dimethyl-7-oxo-, 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]- (2S,5R,6R)-, 4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]-, (2S,5R,6R)- |
|---|---|
| Topological Polar Surface Area | 112.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 530.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Uniprot Id | Q9Y6L6, O76082, O94956, Q9NSA0, Q9H015, P46059, Q16348, Q96BD0, Q9UIG8, Q4U2R8 |
| Iupac Name | (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid |
| Prediction Hob | 1.0 |
| Class | Carboxylic acids and derivatives |
| Target Id | NPT1037, NPT669, NPT713 |
| Xlogp | 1.8 |
| Superclass | Organic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Molecular Formula | C16H18N2O4S |
| Prediction Swissadme | 1.0 |
| Inchi Key | JGSARLDLIJGVTE-MBNYWOFBSA-N |
| Fcsp3 | 0.4375 |
| Logs | -2.956 |
| Rotatable Bond Count | 4.0 |
| State | Solid |
| Logd | 0.94 |
| Synonyms | (2S,5R,6R)-3,3-Dimethyl-7-oxo-6-(phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-(2-Phenylacetamido)penicillanic acid, Bencilpenicilina, Bensylpenicillin, Benzyl benicillin, Benzylpenicilline, Benzylpenicillinic acid, Benzylpenicillinum, Free penicillin II, PCG, PG, Benzylpenicillin, (2S,5R,6R)-3,3-Dimethyl-7-oxo-6-(phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate, 6-(2-Phenylacetamido)penicillanate, Benzylpenicillinate, Antibioticos brand OF penicillin g sodium, Britannia brand OF penicillin g sodium, Or-pen, Pekamin, Penibiot, Pfizerpen, Sodipen, Van-pen-g, Benzylpenicillin potassium, CEPA brand OF penicillin g sodium, Grünenthal brand OF penicillin g potassium, Jenapharm brand OF penicillin g sodium, Llorente brand OF penicillin g sodium, Medical brand OF penicillin g sodium, Normon brand OF penicillin g sodium, Penicillin grünenthal, Sodium penicillin, Ursopen, Benpen, Coliriocilina, Ern brand OF penicillin g sodium, Lakeside brand OF penicillin g sodium, Medical brand OF penicillin g potassium, Ortega brand OF penicillin g potassium, Penicilina g llorente, Penicillin g potassium, Penilevel, Peniroger, Pfizer brand OF penicillin g potassium, Sodiopen, Sodium benzylpenicillin, UCB brand OF penicillin g sodium, Unicilina, Bioniche brand OF penicillin g sodium, CSL Brand OF penicillin g sodium, Clonmel brand OF penicillin g sodium, Crystapen, Parcillin, Parmed brand OF penicillin g potassium, Pengesod, Penicillin g jenapharm, Penicillin g sodium, Vangard brand OF penicillin g potassium, Penicillin g |
| Compound Name | Penicillin G |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 334.099 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 334.099 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 334.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Esol | -3.3291048782608694 |
| Inchi | InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1 |
| Smiles | CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Dipeptides |
- 1. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Uralensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Porella Swartziana (Plant) Rel Props:Source_db:cmaup_ingredients