tert-butyl 3-[[4-azanyl-4-oxidanylidene-2-(quinolin-4-ylcarbonylamino)butanoyl]amino]-2-oxidanyl-1-(4-phenylbutanoyl)pyrrolidine-2-carboxylate

Systemtic Name: tert-butyl 3-[[4-azanyl-4-oxidanylidene-2-(quinolin-4-ylcarbonylamino)butanoyl]amino]-2-oxidanyl-1-(4-phenylbutanoyl)pyrrolidine-2-carboxylate Openeye Name: tert-butyl 3-[[4-amino-4-oxo-2-(quinoline-4-carbonylamino)butanoyl]amino]-2-hydroxy-1-(4-phenylbutanoyl)pyrrolidine-2-carboxylate CAS Name: 3-[[4-amino-1,4-dioxo-2-[[oxo(4-quinolinyl)methyl]amino]butyl]amino]-2-hydroxy-1-(1-oxo-4-phenylbutyl)-2-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[4-amino-4-oxo-2-(quinoline-4-carbonylamino)butanoyl]amino]-2-hydroxy-1-(4-phenylbutanoyl)pyrrolidine-2-carboxylate Traditional Name: 3-[[4-amino-2-(cinchoninoylamino)-4-keto-butanoyl]amino]-2-hydroxy-1-(4-phenylbutanoyl)pyrrolidine-2-carboxylic acid tert-butyl ester Formula: C33H39N5O7 MolecularWeight: 617.69206

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1(C(CCN1C(=O)CCCC2=CC=CC=C2)NC(=O)C(CC(=O)N)NC(=O)C3=CC=NC4=CC=CC=C34)O

Isomeric SMILES

CC(C)(C)OC(=O)C1(C(CCN1C(=O)CCCC2=CC=CC=C2)NC(=O)C(CC(=O)N)NC(=O)C3=CC=NC4=CC=CC=C34)O

InChI

InChI=1S/C33H39N5O7/c1-32(2,3)45-31(43)33(44)26(17-19-38(33)28(40)15-9-12-21-10-5-4-6-11-21)37-30(42)25(20-27(34)39)36-29(41)23-16-18-35-24-14-8-7-13-22(23)24/h4-8,10-11,13-14,16,18,25-26,44H,9,12,15,17,19-20H2,1-3H3,(H2,34,39)(H,36,41)(H,37,42)