tert-butyl 4-azanyl-3-[tert-butyl-(2-oxidanyl-4-phenyl-butyl)carbamoyl]-3-[3-cyano-2-(phenylmethoxycarbonylamino)propanoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-azanyl-3-[tert-butyl-(2-oxidanyl-4-phenyl-butyl)carbamoyl]-3-[3-cyano-2-(phenylmethoxycarbonylamino)propanoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-amino-3-[2-(benzyloxycarbonylamino)-3-cyano-propanoyl]-3-[tert-butyl-(2-hydroxy-4-phenyl-butyl)carbamoyl]piperazine-1-carboxylate CAS Name: 4-amino-3-[[tert-butyl-(2-hydroxy-4-phenylbutyl)amino]-oxomethyl]-3-[3-cyano-1-oxo-2-(phenylmethoxycarbonylamino)propyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-amino-3-[tert-butyl-(2-hydroxy-4-phenylbutyl)carbamoyl]-3-[3-cyano-2-(phenylmethoxycarbonylamino)propanoyl]piperazine-1-carboxylate Traditional Name: 4-amino-3-[2-(benzyloxycarbonylamino)-3-cyano-propanoyl]-3-[tert-butyl-(2-hydroxy-4-phenyl-butyl)carbamoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C36H50N6O7 MolecularWeight: 678.8182

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N(CC(CCC1=CC=CC=C1)O)C(=O)C2(CN(CCN2N)C(=O)OC(C)(C)C)C(=O)C(CC#N)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)N(CC(CCC1=CC=CC=C1)O)C(=O)C2(CN(CCN2N)C(=O)OC(C)(C)C)C(=O)C(CC#N)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C36H50N6O7/c1-34(2,3)41(23-28(43)18-17-26-13-9-7-10-14-26)31(45)36(25-40(21-22-42(36)38)33(47)49-35(4,5)6)30(44)29(19-20-37)39-32(46)48-24-27-15-11-8-12-16-27/h7-16,28-29,43H,17-19,21-25,38H2,1-6H3,(H,39,46)