tert-butyl 2-[2-methanoyl-4-[(2-oxidanyl-4-phenyl-butanoyl)amino]-2-(quinolin-3-ylcarbamoyl)pyrrolidin-1-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 2-[2-methanoyl-4-[(2-oxidanyl-4-phenyl-butanoyl)amino]-2-(quinolin-3-ylcarbamoyl)pyrrolidin-1-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 2-[2-formyl-4-[(2-hydroxy-4-phenyl-butanoyl)amino]-2-(3-quinolylcarbamoyl)pyrrolidin-1-yl]piperazine-1-carboxylate CAS Name: 2-[2-formyl-4-[(2-hydroxy-1-oxo-4-phenylbutyl)amino]-2-[oxo-(3-quinolinylamino)methyl]-1-pyrrolidinyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2-formyl-4-[(2-hydroxy-4-phenylbutanoyl)amino]-2-(quinolin-3-ylcarbamoyl)pyrrolidin-1-yl]piperazine-1-carboxylate Traditional Name: 2-[2-formyl-4-[(2-hydroxy-4-phenyl-butanoyl)amino]-2-(3-quinolylcarbamoyl)pyrrolidino]piperazine-1-carboxylic acid tert-butyl ester Formula: C34H42N6O6 MolecularWeight: 630.73388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCNCC1N2CC(CC2(C=O)C(=O)NC3=CC4=CC=CC=C4N=C3)NC(=O)C(CCC5=CC=CC=C5)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCNCC1N2CC(CC2(C=O)C(=O)NC3=CC4=CC=CC=C4N=C3)NC(=O)C(CCC5=CC=CC=C5)O

InChI

InChI=1S/C34H42N6O6/c1-33(2,3)46-32(45)39-16-15-35-20-29(39)40-21-26(37-30(43)28(42)14-13-23-9-5-4-6-10-23)18-34(40,22-41)31(44)38-25-17-24-11-7-8-12-27(24)36-19-25/h4-12,17,19,22,26,28-29,35,42H,13-16,18,20-21H2,1-3H3,(H,37,43)(H,38,44)