tert-butyl (3S)-3-(phenylmethoxycarbonylamino)-2-phenylsulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (3S)-3-(phenylmethoxycarbonylamino)-2-phenylsulfanyl-pyrrolidine-1-carboxylate Openeye Name: tert-butyl (3S)-3-(benzyloxycarbonylamino)-2-phenylsulfanyl-pyrrolidine-1-carboxylate CAS Name: (3S)-3-(phenylmethoxycarbonylamino)-2-(phenylthio)-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-(phenylmethoxycarbonylamino)-2-phenylsulfanylpyrrolidine-1-carboxylate Traditional Name: (3S)-3-(benzyloxycarbonylamino)-2-(phenylthio)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C23H28N2O4S MolecularWeight: 428.54442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(C1SC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CC[C@@H](C1SC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C23H28N2O4S/c1-23(2,3)29-22(27)25-15-14-19(20(25)30-18-12-8-5-9-13-18)24-21(26)28-16-17-10-6-4-7-11-17/h4-13,19-20H,14-16H2,1-3H3,(H,24,26)/t19-,20?/m0/s1