(2S)-4-methylsulfanyl-2-[[1-(phenylmethoxycarbonylamino)cyclohexyl]carbonylamino]butanoic acid

Systemtic Name: (2S)-4-methylsulfanyl-2-[[1-(phenylmethoxycarbonylamino)cyclohexyl]carbonylamino]butanoic acid Openeye Name: (2S)-2-[[1-(benzyloxycarbonylamino)cyclohexanecarbonyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: (2S)-4-(methylthio)-2-[[oxo-[1-(phenylmethoxycarbonylamino)cyclohexyl]methyl]amino]butanoic acid IUPAC Name: (2S)-4-methylsulfanyl-2-[[1-(phenylmethoxycarbonylamino)cyclohexanecarbonyl]amino]butanoic acid Traditional Name: (2S)-2-[[1-(benzyloxycarbonylamino)cyclohexanecarbonyl]amino]-4-(methylthio)butyric acid Formula: C20H28N2O5S MolecularWeight: 408.51172

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1(CCCCC1)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CSCC[C@@H](C(=O)O)NC(=O)C1(CCCCC1)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C20H28N2O5S/c1-28-13-10-16(17(23)24)21-18(25)20(11-6-3-7-12-20)22-19(26)27-14-15-8-4-2-5-9-15/h2,4-5,8-9,16H,3,6-7,10-14H2,1H3,(H,21,25)(H,22,26)(H,23,24)/t16-/m0/s1