(phenylmethyl) (2S)-3-methyl-2-[[1-[(phenylmethylsulfanyl)carbonylamino]cyclohexyl]carbonylamino]butanoate

Systemtic Name: (phenylmethyl) (2S)-3-methyl-2-[[1-[(phenylmethylsulfanyl)carbonylamino]cyclohexyl]carbonylamino]butanoate Openeye Name: benzyl (2S)-2-[[1-(benzylsulfanylcarbonylamino)cyclohexanecarbonyl]amino]-3-methyl-butanoate CAS Name: (2S)-3-methyl-2-[[oxo-[1-[[oxo-(phenylmethylthio)methyl]amino]cyclohexyl]methyl]amino]butanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[[1-(benzylsulfanylcarbonylamino)cyclohexanecarbonyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[1-[(benzylthio)carbonylamino]cyclohexanecarbonyl]amino]-3-methyl-butyric acid benzyl ester Formula: C27H34N2O4S MolecularWeight: 482.63486

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC=CC=C1)NC(=O)C2(CCCCC2)NC(=O)SCC3=CC=CC=C3

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=CC=CC=C1)NC(=O)C2(CCCCC2)NC(=O)SCC3=CC=CC=C3

InChI

InChI=1S/C27H34N2O4S/c1-20(2)23(24(30)33-18-21-12-6-3-7-13-21)28-25(31)27(16-10-5-11-17-27)29-26(32)34-19-22-14-8-4-9-15-22/h3-4,6-9,12-15,20,23H,5,10-11,16-19H2,1-2H3,(H,28,31)(H,29,32)/t23-/m0/s1