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

Systemtic Name: methyl (2S)-2-[[(2S)-4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-oxidanyl-propanoate Openeye Name: methyl (2S)-2-[[(2S)-2-(benzyloxycarbonylamino)-4-methylsulfanyl-butanoyl]amino]-3-hydroxy-propanoate CAS Name: (2S)-3-hydroxy-2-[[(2S)-4-(methylthio)-1-oxo-2-(phenylmethoxycarbonylamino)butyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-hydroxy-2-[[(2S)-4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoate Traditional Name: (2S)-2-[[(2S)-2-(benzyloxycarbonylamino)-4-(methylthio)butanoyl]amino]-3-hydroxy-propionic acid methyl ester Formula: C17H24N2O6S MolecularWeight: 384.44726

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CO)NC(=O)C(CCSC)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O6S/c1-24-16(22)14(10-20)18-15(21)13(8-9-26-2)19-17(23)25-11-12-6-4-3-5-7-12/h3-7,13-14,20H,8-11H2,1-2H3,(H,18,21)(H,19,23)/t13-,14-/m0/s1