(2R,4S)-1-[(2S)-4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoyl]-4-oxidanyl-pyrrolidine-2-carboxylate

Systemtic Name: (2R,4S)-1-[(2S)-4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoyl]-4-oxidanyl-pyrrolidine-2-carboxylate Openeye Name: (2R,4S)-1-[(2S)-2-(benzyloxycarbonylamino)-4-methylsulfanyl-butanoyl]-4-hydroxy-pyrrolidine-2-carboxylate CAS Name: (2R,4S)-4-hydroxy-1-[(2S)-4-(methylthio)-1-oxo-2-(phenylmethoxycarbonylamino)butyl]-2-pyrrolidinecarboxylate IUPAC Name: (2R,4S)-4-hydroxy-1-[(2S)-4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoyl]pyrrolidine-2-carboxylate Traditional Name: (2R,4S)-1-[(2S)-2-(benzyloxycarbonylamino)-4-(methylthio)butanoyl]-4-hydroxy-pyrrolidine-2-carboxylate Formula: C18H23N2O6S- MolecularWeight: 395.45002

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)N1CC(CC1C(=O)[O-])O)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CSCC[C@@H](C(=O)N1C[C@H](C[C@@H]1C(=O)[O-])O)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C18H24N2O6S/c1-27-8-7-14(16(22)20-10-13(21)9-15(20)17(23)24)19-18(25)26-11-12-5-3-2-4-6-12/h2-6,13-15,21H,7-11H2,1H3,(H,19,25)(H,23,24)/p-1/t13-,14-,15+/m0/s1