methyl (2S)-2-[[4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-oxidanyl-butanoate

Systemtic Name: methyl (2S)-2-[[4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-oxidanyl-butanoate Openeye Name: methyl (2S)-2-[[2-(benzyloxycarbonylamino)-4-methylsulfanyl-butanoyl]amino]-3-hydroxy-butanoate CAS Name: (2S)-3-hydroxy-2-[[4-(methylthio)-1-oxo-2-(phenylmethoxycarbonylamino)butyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-3-hydroxy-2-[[4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]butanoate Traditional Name: (2S)-2-[[2-(benzyloxycarbonylamino)-4-(methylthio)butanoyl]amino]-3-hydroxy-butyric acid methyl ester Formula: C18H26N2O6S MolecularWeight: 398.47384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)OC)NC(=O)C(CCSC)NC(=O)OCC1=CC=CC=C1)O

Isomeric SMILES

CC([C@@H](C(=O)OC)NC(=O)C(CCSC)NC(=O)OCC1=CC=CC=C1)O

InChI

InChI=1S/C18H26N2O6S/c1-12(21)15(17(23)25-2)20-16(22)14(9-10-27-3)19-18(24)26-11-13-7-5-4-6-8-13/h4-8,12,14-15,21H,9-11H2,1-3H3,(H,19,24)(H,20,22)/t12?,14?,15-/m0/s1