FTase Inhibitor II
PubChem CID: 9842387
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| Compound Synonyms | FTase Inhibitor II, 156707-43-6, H-Cys-4-Abz-Met-OH, CHEMBL70620, (2S)-2-[[4-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]benzoyl]amino]-4-methylsulfanylbutanoic acid, L-Methionine, N-[4-[[(2R)-2-amino-3-mercapto-1-oxopropyl]amino]benzoyl]-, MFCD01861107, SCHEMBL8097481, BDBM50048955, FC109033, PD018140, (4-((R)-2-Amino-3-mercaptopropanamido)benzoyl)-L-methionine, 2-[4-(2-Amino-3-mercapto-propionylamino)-benzoylamino]-4-methylsulfanyl-butyric acid(FTI2), (S)-2-[4-((R)-2-Amino-3-mercapto-propionylamino)-benzoylamino]-4-methylsulfanyl-butyric acid |
|---|---|
| Topological Polar Surface Area | 148.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 442.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (2S)-2-[[4-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]benzoyl]amino]-4-methylsulfanylbutanoic acid |
| Prediction Hob | 1.0 |
| Xlogp | -1.9 |
| Molecular Formula | C15H21N3O4S2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QZVAZQOXHOMYJF-RYUDHWBXSA-N |
| Fcsp3 | 0.4 |
| Logs | -2.481 |
| Rotatable Bond Count | 9.0 |
| Logd | 0.219 |
| Compound Name | FTase Inhibitor II |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 371.097 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 371.097 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 371.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.4367008000000005 |
| Inchi | InChI=1S/C15H21N3O4S2/c1-24-7-6-12(15(21)22)18-13(19)9-2-4-10(5-3-9)17-14(20)11(16)8-23/h2-5,11-12,23H,6-8,16H2,1H3,(H,17,20)(H,18,19)(H,21,22)/t11-,12-/m0/s1 |
| Smiles | CSCC[C@@H](C(=O)O)NC(=O)C1=CC=C(C=C1)NC(=O)[C@H](CS)N |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Mimosa Diplotricha (Plant) Rel Props:Source_db:cmaup_ingredients