(4-methoxyphenyl)methyl (2S,4S)-2-(acetamidomethyl)-4-(triphenylmethyl)sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-methoxyphenyl)methyl (2S,4S)-2-(acetamidomethyl)-4-(triphenylmethyl)sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-methoxyphenyl)methyl (2S,4S)-2-(acetamidomethyl)-4-tritylsulfanyl-pyrrolidine-1-carboxylate CAS Name: (2S,4S)-2-(acetamidomethyl)-4-[(triphenylmethyl)thio]-1-pyrrolidinecarboxylic acid (4-methoxyphenyl)methyl ester IUPAC Name: (4-methoxyphenyl)methyl (2S,4S)-2-(acetamidomethyl)-4-tritylsulfanylpyrrolidine-1-carboxylate Traditional Name: (2S,4S)-2-(acetamidomethyl)-4-(tritylthio)pyrrolidine-1-carboxylic acid p-anisyl ester Formula: C35H36N2O4S MolecularWeight: 580.73634

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1CC(CN1C(=O)OCC2=CC=C(C=C2)OC)SC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC(=O)NC[C@@H]1C[C@@H](CN1C(=O)OCC2=CC=C(C=C2)OC)SC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C35H36N2O4S/c1-26(38)36-23-31-22-33(24-37(31)34(39)41-25-27-18-20-32(40-2)21-19-27)42-35(28-12-6-3-7-13-28,29-14-8-4-9-15-29)30-16-10-5-11-17-30/h3-21,31,33H,22-25H2,1-2H3,(H,36,38)/t31-,33-/m0/s1