tert-butyl 1-[3-[[3-cyano-2-(phenylmethoxycarbonylamino)propanoyl]amino]-2-oxidanyl-4-phenyl-butanoyl]pyrrolidine-2-carboxylate

Systemtic Name: tert-butyl 1-[3-[[3-cyano-2-(phenylmethoxycarbonylamino)propanoyl]amino]-2-oxidanyl-4-phenyl-butanoyl]pyrrolidine-2-carboxylate Openeye Name: tert-butyl 1-[3-[[2-(benzyloxycarbonylamino)-3-cyano-propanoyl]amino]-2-hydroxy-4-phenyl-butanoyl]pyrrolidine-2-carboxylate CAS Name: 1-[3-[[3-cyano-1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]-2-hydroxy-1-oxo-4-phenylbutyl]-2-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[3-[[3-cyano-2-(phenylmethoxycarbonylamino)propanoyl]amino]-2-hydroxy-4-phenylbutanoyl]pyrrolidine-2-carboxylate Traditional Name: 1-[3-[[2-(benzyloxycarbonylamino)-3-cyano-propanoyl]amino]-2-hydroxy-4-phenyl-butanoyl]pyrrolidine-2-carboxylic acid tert-butyl ester Formula: C31H38N4O7 MolecularWeight: 578.65602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H38N4O7/c1-31(2,3)42-29(39)25-15-10-18-35(25)28(38)26(36)24(19-21-11-6-4-7-12-21)33-27(37)23(16-17-32)34-30(40)41-20-22-13-8-5-9-14-22/h4-9,11-14,23-26,36H,10,15-16,18-20H2,1-3H3,(H,33,37)(H,34,40)