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

Systemtic Name: tert-butyl 3-[[4-azanyl-4-oxidanylidene-2-[(4-oxidanylidene-1H-quinolin-2-yl)carbonylamino]butanoyl]amino]-2-oxidanyl-1-(4-phenylbutanoyl)pyrrolidine-2-carboxylate Openeye Name: tert-butyl 3-[[4-amino-4-oxo-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]butanoyl]amino]-2-hydroxy-1-(4-phenylbutanoyl)pyrrolidine-2-carboxylate CAS Name: 3-[[4-amino-1,4-dioxo-2-[[oxo-(4-oxo-1H-quinolin-2-yl)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-[(4-oxo-1H-quinoline-2-carbonyl)amino]butanoyl]amino]-2-hydroxy-1-(4-phenylbutanoyl)pyrrolidine-2-carboxylate Traditional Name: 3-[[4-amino-4-keto-2-[(4-keto-1H-quinoline-2-carbonyl)amino]butanoyl]amino]-2-hydroxy-1-(4-phenylbutanoyl)pyrrolidine-2-carboxylic acid tert-butyl ester Formula: C33H39N5O8 MolecularWeight: 633.69146

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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(=O)C4=CC=CC=C4N3)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(=O)C4=CC=CC=C4N3)O

InChI

InChI=1S/C33H39N5O8/c1-32(2,3)46-31(44)33(45)26(16-17-38(33)28(41)15-9-12-20-10-5-4-6-11-20)37-30(43)24(19-27(34)40)36-29(42)23-18-25(39)21-13-7-8-14-22(21)35-23/h4-8,10-11,13-14,18,24,26,45H,9,12,15-17,19H2,1-3H3,(H2,34,40)(H,35,39)(H,36,42)(H,37,43)