tert-butyl 3-[[4-azanyl-2-(3H-benzimidazol-5-ylcarbonylamino)-4-oxidanylidene-butanoyl]amino]-2-oxidanyl-1-(4-phenylbutanoyl)pyrrolidine-2-carboxylate

Systemtic Name: tert-butyl 3-[[4-azanyl-2-(3H-benzimidazol-5-ylcarbonylamino)-4-oxidanylidene-butanoyl]amino]-2-oxidanyl-1-(4-phenylbutanoyl)pyrrolidine-2-carboxylate Openeye Name: tert-butyl 3-[[4-amino-2-(3H-benzimidazole-5-carbonylamino)-4-oxo-butanoyl]amino]-2-hydroxy-1-(4-phenylbutanoyl)pyrrolidine-2-carboxylate CAS Name: 3-[[4-amino-2-[[3H-benzimidazol-5-yl(oxo)methyl]amino]-1,4-dioxobutyl]amino]-2-hydroxy-1-(1-oxo-4-phenylbutyl)-2-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[4-amino-2-(3H-benzimidazole-5-carbonylamino)-4-oxobutanoyl]amino]-2-hydroxy-1-(4-phenylbutanoyl)pyrrolidine-2-carboxylate Traditional Name: 3-[[4-amino-2-(3H-benzimidazole-5-carbonylamino)-4-keto-butanoyl]amino]-2-hydroxy-1-(4-phenylbutanoyl)pyrrolidine-2-carboxylic acid tert-butyl ester Formula: C31H38N6O7 MolecularWeight: 606.66942

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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=CC4=C(C=C3)N=CN4)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=CC4=C(C=C3)N=CN4)O

InChI

InChI=1S/C31H38N6O7/c1-30(2,3)44-29(42)31(43)24(14-15-37(31)26(39)11-7-10-19-8-5-4-6-9-19)36-28(41)23(17-25(32)38)35-27(40)20-12-13-21-22(16-20)34-18-33-21/h4-6,8-9,12-13,16,18,23-24,43H,7,10-11,14-15,17H2,1-3H3,(H2,32,38)(H,33,34)(H,35,40)(H,36,41)