| CAS Number | 156707-43-6 |
| Catalog Number | AG001OXA(AGN-PC-0Q757J) |
| Chemical Name | FTase Inhibitor II |
| IUPAC Name | (2S)-2-[[4-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]benzoyl]amino]-4-methylsulfanylbutanoic acid |
| 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 |
| InChI Key | QZVAZQOXHOMYJF-RYUDHWBXSA-N |
| MDL Number | MFCD01861107 |
| Molecular Formula | C28H40O14 |
| Molecular Weight | 600.6088 |
| SMILES | CSCC[C@@H](C(=O)O)NC(=O)c1ccc(cc1)NC(=O)[C@H](CS)N |
| Synonyms | H-Cys-4-Abz-Met-OH,
CHEMBL70620,
156707-43-6,
SCHEMBL8097481,
BDBM50048955,
MFCD01861107,
ZINC13586733,
L-Methionine, N-[4-[[(2R)-2-amino-3-mercapto-1-oxopropyl]amino]benzoyl]-,
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,
FTase Inhibitor II,
CID9842387,
(2S)-2-[[4-[[(2S)-2-amino-3-sulfanyl-propanoyl]amino]benzoyl]amino]-4-methylsulfanyl-butanoic Acid,
|
| Complexity | 442 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 371.097g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 371.47g/mol |
| Monoisotopic Mass | 371.097g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 148A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.9 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number