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

Systemtic Name: tert-butyl 3-[[4-azanyl-4-oxidanylidene-2-(pyridin-3-ylcarbonylamino)butanoyl]amino]-2-oxidanyl-1-(4-phenylbutanoyl)pyrrolidine-2-carboxylate Openeye Name: tert-butyl 3-[[4-amino-4-oxo-2-(pyridine-3-carbonylamino)butanoyl]amino]-2-hydroxy-1-(4-phenylbutanoyl)pyrrolidine-2-carboxylate CAS Name: 3-[[4-amino-1,4-dioxo-2-[[oxo(3-pyridinyl)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-(pyridine-3-carbonylamino)butanoyl]amino]-2-hydroxy-1-(4-phenylbutanoyl)pyrrolidine-2-carboxylate Traditional Name: 3-[(4-amino-4-keto-2-nicotinamido-butanoyl)amino]-2-hydroxy-1-(4-phenylbutanoyl)pyrrolidine-2-carboxylic acid tert-butyl ester Formula: C29H37N5O7 MolecularWeight: 567.63338

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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=CN=CC=C3)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=CN=CC=C3)O

InChI

InChI=1S/C29H37N5O7/c1-28(2,3)41-27(39)29(40)22(14-16-34(29)24(36)13-7-11-19-9-5-4-6-10-19)33-26(38)21(17-23(30)35)32-25(37)20-12-8-15-31-18-20/h4-6,8-10,12,15,18,21-22,40H,7,11,13-14,16-17H2,1-3H3,(H2,30,35)(H,32,37)(H,33,38)