tert-butyl 1-[3-phenyl-2-(phenylmethoxycarbonylamino)propanethioyl]pyrrolidine-2-carboxylate

Systemtic Name: tert-butyl 1-[3-phenyl-2-(phenylmethoxycarbonylamino)propanethioyl]pyrrolidine-2-carboxylate Openeye Name: tert-butyl 1-[2-(benzyloxycarbonylamino)-3-phenyl-propanethioyl]pyrrolidine-2-carboxylate CAS Name: 1-[3-phenyl-2-(phenylmethoxycarbonylamino)-1-sulfanylidenepropyl]-2-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[3-phenyl-2-(phenylmethoxycarbonylamino)propanethioyl]pyrrolidine-2-carboxylate Traditional Name: 1-[2-(benzyloxycarbonylamino)-3-phenyl-propanethioyl]pyrrolidine-2-carboxylic acid tert-butyl ester Formula: C26H32N2O4S MolecularWeight: 468.60828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CCCN1C(=S)C(CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)C1CCCN1C(=S)C(CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H32N2O4S/c1-26(2,3)32-24(29)22-15-10-16-28(22)23(33)21(17-19-11-6-4-7-12-19)27-25(30)31-18-20-13-8-5-9-14-20/h4-9,11-14,21-22H,10,15-18H2,1-3H3,(H,27,30)