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

Systemtic Name: tert-butyl 3-[[4-azanyl-4-oxidanylidene-2-[(3-oxidanylidene-4H-quinoxalin-2-yl)carbonylamino]butanoyl]amino]-2-oxidanyl-1-(4-phenylbutanoyl)pyrrolidine-2-carboxylate Openeye Name: tert-butyl 3-[[4-amino-4-oxo-2-[(3-oxo-4H-quinoxaline-2-carbonyl)amino]butanoyl]amino]-2-hydroxy-1-(4-phenylbutanoyl)pyrrolidine-2-carboxylate CAS Name: 3-[[4-amino-1,4-dioxo-2-[[oxo-(3-oxo-4H-quinoxalin-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-[(3-oxo-4H-quinoxaline-2-carbonyl)amino]butanoyl]amino]-2-hydroxy-1-(4-phenylbutanoyl)pyrrolidine-2-carboxylate Traditional Name: 3-[[4-amino-4-keto-2-[(3-keto-4H-quinoxaline-2-carbonyl)amino]butanoyl]amino]-2-hydroxy-1-(4-phenylbutanoyl)pyrrolidine-2-carboxylic acid tert-butyl ester Formula: C32H38N6O8 MolecularWeight: 634.67952

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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=NC4=CC=CC=C4NC3=O)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=NC4=CC=CC=C4NC3=O)O

InChI

InChI=1S/C32H38N6O8/c1-31(2,3)46-30(44)32(45)23(16-17-38(32)25(40)15-9-12-19-10-5-4-6-11-19)37-27(41)22(18-24(33)39)36-29(43)26-28(42)35-21-14-8-7-13-20(21)34-26/h4-8,10-11,13-14,22-23,45H,9,12,15-18H2,1-3H3,(H2,33,39)(H,35,42)(H,36,43)(H,37,41)