(4-nitrophenyl)methyl (2R)-2-[(4-methylcyclohexyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (4-nitrophenyl)methyl (2R)-2-[(4-methylcyclohexyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (4-nitrophenyl)methyl (2R)-2-[(4-methylcyclohexanecarbonyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[(4-methylcyclohexyl)-oxomethyl]amino]-4-(methylthio)butanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (2R)-2-[(4-methylcyclohexanecarbonyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2R)-2-[(4-methylcyclohexanecarbonyl)amino]-4-(methylthio)butyric acid (4-nitrobenzyl) ester Formula: C20H28N2O5S MolecularWeight: 408.51172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)NC(CCSC)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1CCC(CC1)C(=O)N[C@H](CCSC)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H28N2O5S/c1-14-3-7-16(8-4-14)19(23)21-18(11-12-28-2)20(24)27-13-15-5-9-17(10-6-15)22(25)26/h5-6,9-10,14,16,18H,3-4,7-8,11-13H2,1-2H3,(H,21,23)/t14?,16?,18-/m1/s1