O4-tert-butyl O1-methyl (2S,3S)-3-[(4-methoxyphenyl)methylsulfanyl]-2-(phenylmethoxycarbonylamino)butanedioate

Systemtic Name: O4-tert-butyl O1-methyl (2S,3S)-3-[(4-methoxyphenyl)methylsulfanyl]-2-(phenylmethoxycarbonylamino)butanedioate Openeye Name: O1-tert-butyl O4-methyl (2S,3S)-3-(benzyloxycarbonylamino)-2-[(4-methoxyphenyl)methylsulfanyl]butanedioate CAS Name: (2S,3S)-3-[(4-methoxyphenyl)methylthio]-2-(phenylmethoxycarbonylamino)butanedioic acid O4-tert-butyl ester O1-methyl ester IUPAC Name: 4-O-tert-butyl 1-O-methyl (2S,3S)-3-[(4-methoxyphenyl)methylsulfanyl]-2-(phenylmethoxycarbonylamino)butanedioate Traditional Name: (2S,3S)-3-(benzyloxycarbonylamino)-2-(p-anisylthio)succinic acid O1-tert-butyl ester O4-methyl ester Formula: C25H31NO7S MolecularWeight: 489.58114

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C(C(=O)OC)NC(=O)OCC1=CC=CC=C1)SCC2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)(C)OC(=O)[C@H]([C@H](C(=O)OC)NC(=O)OCC1=CC=CC=C1)SCC2=CC=C(C=C2)OC

InChI

InChI=1S/C25H31NO7S/c1-25(2,3)33-23(28)21(34-16-18-11-13-19(30-4)14-12-18)20(22(27)31-5)26-24(29)32-15-17-9-7-6-8-10-17/h6-14,20-21H,15-16H2,1-5H3,(H,26,29)/t20-,21+/m1/s1