6-{[Amino(phenyl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
PubChem CID: 2174
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| Compound Synonyms | Alpen, Guicitrine, Deripen, Wypicil, 6-{[amino(phenyl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, Ampen, AMPI, D-(-)-.alpha.-Aminobenzylpenicillin, Ampipenin, nt3, NCGC00018160-02, Pen A Oral, P 50, .alpha.-Aminobenzylpenicillin, SCHEMBL242460, CHEMBL1617921, D-(-)-.alpha.-Aminopenicillin, CHEBI:94334, DTXSID20859077, BCP25420, BHC17365, BBL016496, STK803647, AKOS000641681, AKOS022060556, 6-[(2-amino-2-phenylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, LS-14499, NCI60_004295, SY076914, NS00000689, SR-01000318615, SR-01000318615-1, WLN: T45 ANV ESTJ CMVYZR& F1 F1 GVQ -D, 6-D(-)-.alpha.-Aminophenylacetamido-penicillanic acid, BRD-A16754160-001-01-5, BRD-A16754160-236-01-7, Q27166159, 6-(D-(-)-.alpha.-Aminophenylacetamido)penicillanic acid, Ampicillin acid, Aminobenzylpenicillin, Piperacillin EP Impurity A, 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid,3-dimethyl-7-oxo-, D-(-)-, D-(-)-4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid,3-dimethyl-7-oxo-, 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid,3-dimethyl-7-oxo-, [2S-[2.alpha.,5.alpha.,6.beta.(S )]]-, 6-[(2-amino-1-oxo-2-phenylethyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 7-(2-amino-2-phenyl-acetyl)amino-3,3-dimethyl-6-oxo-2-thia-5-azabicyclo[3.2.0]heptane-4carboxylic acid, 856649-99-5, D-(-)-6-(2-Amino-2-phenylacetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid |
|---|---|
| Topological Polar Surface Area | 138.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 24.0 |
| Description | Potential contaminant of cow's milk arising from its veterinary use Ampicillin is a beta-lactam antibiotic that has been used extensively to treat bacterial infections since 1961. It is considered part of the aminopenicillin family and is roughly equivalent to amoxicillin in terms of spectrum and level of activity. Ampicillin is found in milk and milk products and common pea. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 562.0 |
| Database Name | fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-[(2-amino-2-phenylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid |
| Nih Violation | True |
| Class | Lactams |
| Xlogp | -1.1 |
| Superclass | Organoheterocyclic compounds |
| Is Pains | False |
| Subclass | Beta lactams |
| Molecular Formula | C16H19N3O4S |
| Inchi Key | AVKUERGKIZMTKX-UHFFFAOYSA-N |
| Rotatable Bond Count | 4.0 |
| State | Solid |
| Synonyms | (2S,5R,6R)-6-[[(2R)-2-amino-2-Phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, (2S,5R,6R)-6-{[(2R)-2-amino-2-phenylacetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate, (2S,5R,6R)-6-{[(2R)-2-amino-2-phenylacetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, (2S,5R,6R)-6-{[(2R)-2-amino-2-phenylethanoyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate, (2S,5R,6R)-6-{[(2R)-2-amino-2-phenylethanoyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylIC ACID, &alpha, -aminobenzylpenicillin, 6-(a-Aminophenylacetamido)penicillanic acid, 6-(D-(2-amino-2-Phenylacetamido))-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylate, 6-(D-(2-amino-2-Phenylacetamido))-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(D(-)-alpha-Aminophenylacetamido)penicillanic acid, 6-[(Aminophenylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 9CI, 6-D(-)-&alpha, -Aminophenylacetamido-penicillanic acid, 6-D(-)-alpha-Aminophenylacetamido-penicillanic acid, ABPC, Acillin, Adobacillin, Alpen, alpha-Aminobenzylpenicillin, Amblosin, Amcill, Amfipen, Amfipen v, Aminobenzylpenicillin, Amipenix s, AMP, Ampen, AMPI, Ampi-bol, Ampi-co, Ampi-tab, Ampichel, Ampicil, Ampicilina, Ampicillin (usan), Ampicillin (usp/inn), Ampicillin [usan:ban:inn:jan], Ampicillin a, Ampicillin acid, Ampicillin anhydrate, Ampicillin anhydrous, Ampicillin base, Ampicillin sodium, Ampicillin trihydrate, Ampicillina, Ampicilline, Ampicillinum, Ampifarm, Ampikel, Ampimed, Ampipenin, Ampiscel, Ampisyn, Ampivax, Ampivet, Amplacilina, Amplin, Amplipenyl, Amplisom, Amplital, Anhydrous ampicillin, Austrapen, AY 6108, Bayer 5427, Binotal, Bonapicillin, Britacil, BRL 1341, Campicillin, Cimex, Copharcilin, D-(-)-&alpha, -aminobenzylpenicillin, D-(-)-&alpha, -aminopenicillin, D-(-)-6-(a-Aminophenylacetamido)penicillanate, D-(-)-6-(a-Aminophenylacetamido)penicillanic acid, D-(-)-6-(alpha-Aminophenylacetamido)penicillanate, D-(-)-6-(alpha-aminophenylacetamido)penicillanic acid, D-(-)-6-(α-aminophenylacetamido)penicillanate, D-(-)-6-(α-aminophenylacetamido)penicillanic acid, D-(-)-alpha-aminobenzylpenicillin, D-(-)-alpha-aminopenicillin, D-(-)-ampicillin, D-a-Aminobenzylpenicillin, D-ampicillin, D-cillin, Delcillin, Deripen, Divercillin, Doktacillin, Duphacillin, Geocillin, Grampenil, Guicitrina, Guicitrine, KS-R1, Lifeampil, Magnapen, Marcillin, Morepen, Norobrittin, Novo-ampicillin, NSC 528986, Nuvapen, Olin kid, Omnipen, Orbicilina, Pen a, Pen ampil, Penbristol, Penbritin, Penbrock, Penicline, Penimic, Pensyn, Pentrex, Pentrexl, Pentrexyl, Pentritin, Pfizerpen a, Polycillin, Ponecil, Princillin, Principen, Qidamp, Racenacillin, Ro-ampen, Rosampline, Roscillin, Semicillin, Servicillin, SK-ampicillin, Sumipanto, Supen, Synpenin, Texcillin, Tokiocillin, Tolomol, Totacillin, Totalciclina, Totapen, Trifacilina, Ukapen, Ultrabion, Ultrabron, Vampen, Viccillin, Vidocillin, Vidopen, Wypicil |
| Substituent Name | Penicillin, N-acyl-alpha amino acid or derivatives, Alpha-amino acid amide, Phenylacetamide, Alpha-amino acid or derivatives, Aralkylamine, Benzenoid, Monocyclic benzene moiety, Thiazolidine, Tertiary carboxylic acid amide, Tertiary amine, Secondary carboxylic acid amide, Carboxamide group, Azetidine, Azacycle, Dialkylthioether, Hemithioaminal, Thioether, Monocarboxylic acid or derivatives, Carboxylic acid, Carboxylic acid derivative, Carboxylic acid amide, Hydrocarbon derivative, Primary amine, Organooxygen compound, Organonitrogen compound, Primary aliphatic amine, Carbonyl group, Amine, Aromatic heteropolycyclic compound |
| Compound Name | 6-{[Amino(phenyl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid |
| Kingdom | Organic compounds |
| Exact Mass | 349.11 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 349.11 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 349.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23) |
| Smiles | CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)O)C |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pisum Sativum (Plant) Rel Props:Source_db:fooddb_chem_all