(2S)-3-methyl-2-[[1-[(phenylmethylsulfanyl)carbonylamino]cyclohexyl]carbonylamino]butanoic acid

Systemtic Name: (2S)-3-methyl-2-[[1-[(phenylmethylsulfanyl)carbonylamino]cyclohexyl]carbonylamino]butanoic acid Openeye Name: (2S)-2-[[1-(benzylsulfanylcarbonylamino)cyclohexanecarbonyl]amino]-3-methyl-butanoic acid CAS Name: (2S)-3-methyl-2-[[oxo-[1-[[oxo-(phenylmethylthio)methyl]amino]cyclohexyl]methyl]amino]butanoic acid IUPAC Name: (2S)-2-[[1-(benzylsulfanylcarbonylamino)cyclohexanecarbonyl]amino]-3-methylbutanoic acid Traditional Name: (2S)-2-[[1-[(benzylthio)carbonylamino]cyclohexanecarbonyl]amino]-3-methyl-butyric acid Formula: C20H28N2O4S MolecularWeight: 392.51232

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C1(CCCCC1)NC(=O)SCC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)O)NC(=O)C1(CCCCC1)NC(=O)SCC2=CC=CC=C2

InChI

InChI=1S/C20H28N2O4S/c1-14(2)16(17(23)24)21-18(25)20(11-7-4-8-12-20)22-19(26)27-13-15-9-5-3-6-10-15/h3,5-6,9-10,14,16H,4,7-8,11-13H2,1-2H3,(H,21,25)(H,22,26)(H,23,24)/t16-/m0/s1