methyl 2-[(3-carbamimidoylphenyl)methyl]-5-phenyl-3-[(4-pyridin-3-ylphenyl)carbonylamino]pentanoate

Systemtic Name: methyl 2-[(3-carbamimidoylphenyl)methyl]-5-phenyl-3-[(4-pyridin-3-ylphenyl)carbonylamino]pentanoate Openeye Name: methyl 2-[(3-carbamimidoylphenyl)methyl]-5-phenyl-3-[[4-(3-pyridyl)benzoyl]amino]pentanoate CAS Name: 2-[(3-carbamimidoylphenyl)methyl]-3-[[oxo-[4-(3-pyridinyl)phenyl]methyl]amino]-5-phenylpentanoic acid methyl ester IUPAC Name: methyl 2-[(3-carbamimidoylphenyl)methyl]-5-phenyl-3-[(4-pyridin-3-ylbenzoyl)amino]pentanoate Traditional Name: 2-(3-amidinobenzyl)-5-phenyl-3-[[4-(3-pyridyl)benzoyl]amino]valeric acid methyl ester Formula: C32H32N4O3 MolecularWeight: 520.62148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC(=C1)C(=N)N)C(CCC2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)C4=CN=CC=C4

Isomeric SMILES

COC(=O)C(CC1=CC=CC(=C1)C(=N)N)C(CCC2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)C4=CN=CC=C4

InChI

InChI=1S/C32H32N4O3/c1-39-32(38)28(20-23-9-5-10-26(19-23)30(33)34)29(17-12-22-7-3-2-4-8-22)36-31(37)25-15-13-24(14-16-25)27-11-6-18-35-21-27/h2-11,13-16,18-19,21,28-29H,12,17,20H2,1H3,(H3,33,34)(H,36,37)