tert-butyl 3-[[4-azanyl-2-[(5-butyl-2-methyl-pyridin-3-yl)amino]-4-oxidanylidene-butanoyl]amino]-2-oxidanyl-1-(4-phenylbutanoyl)pyrrolidine-2-carboxylate

Systemtic Name: tert-butyl 3-[[4-azanyl-2-[(5-butyl-2-methyl-pyridin-3-yl)amino]-4-oxidanylidene-butanoyl]amino]-2-oxidanyl-1-(4-phenylbutanoyl)pyrrolidine-2-carboxylate Openeye Name: tert-butyl 3-[[4-amino-2-[(5-butyl-2-methyl-3-pyridyl)amino]-4-oxo-butanoyl]amino]-2-hydroxy-1-(4-phenylbutanoyl)pyrrolidine-2-carboxylate CAS Name: 3-[[4-amino-2-[(5-butyl-2-methyl-3-pyridinyl)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-[(5-butyl-2-methylpyridin-3-yl)amino]-4-oxobutanoyl]amino]-2-hydroxy-1-(4-phenylbutanoyl)pyrrolidine-2-carboxylate Traditional Name: 3-[[4-amino-2-[(5-butyl-2-methyl-3-pyridyl)amino]-4-keto-butanoyl]amino]-2-hydroxy-1-(4-phenylbutanoyl)pyrrolidine-2-carboxylic acid tert-butyl ester Formula: C33H47N5O6 MolecularWeight: 609.75618

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(N=C1)C)NC(CC(=O)N)C(=O)NC2CCN(C2(C(=O)OC(C)(C)C)O)C(=O)CCCC3=CC=CC=C3

Isomeric SMILES

CCCCC1=CC(=C(N=C1)C)NC(CC(=O)N)C(=O)NC2CCN(C2(C(=O)OC(C)(C)C)O)C(=O)CCCC3=CC=CC=C3

InChI

InChI=1S/C33H47N5O6/c1-6-7-12-24-19-25(22(2)35-21-24)36-26(20-28(34)39)30(41)37-27-17-18-38(33(27,43)31(42)44-32(3,4)5)29(40)16-11-15-23-13-9-8-10-14-23/h8-10,13-14,19,21,26-27,36,43H,6-7,11-12,15-18,20H2,1-5H3,(H2,34,39)(H,37,41)