[2-(cyclopentylamino)-2-oxidanylidene-ethyl] (2R)-4-methylsulfanyl-2-[(3-nitrophenyl)carbonylamino]butanoate

Systemtic Name: [2-(cyclopentylamino)-2-oxidanylidene-ethyl] (2R)-4-methylsulfanyl-2-[(3-nitrophenyl)carbonylamino]butanoate Openeye Name: [2-(cyclopentylamino)-2-oxo-ethyl] (2R)-4-methylsulfanyl-2-[(3-nitrobenzoyl)amino]butanoate CAS Name: (2R)-4-(methylthio)-2-[[(3-nitrophenyl)-oxomethyl]amino]butanoic acid [2-(cyclopentylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopentylamino)-2-oxoethyl] (2R)-4-methylsulfanyl-2-[(3-nitrobenzoyl)amino]butanoate Traditional Name: (2R)-4-(methylthio)-2-[(3-nitrobenzoyl)amino]butyric acid [2-(cyclopentylamino)-2-keto-ethyl] ester Formula: C19H25N3O6S MolecularWeight: 423.4833

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC(=O)NC1CCCC1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CSCC[C@H](C(=O)OCC(=O)NC1CCCC1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H25N3O6S/c1-29-10-9-16(19(25)28-12-17(23)20-14-6-2-3-7-14)21-18(24)13-5-4-8-15(11-13)22(26)27/h4-5,8,11,14,16H,2-3,6-7,9-10,12H2,1H3,(H,20,23)(H,21,24)/t16-/m1/s1