methyl 2-[(3-carbamimidoylphenyl)methyl]-3-[methyl-(4-phenylphenyl)carbonyl-amino]-4-phenyl-butanoate

Systemtic Name: methyl 2-[(3-carbamimidoylphenyl)methyl]-3-[methyl-(4-phenylphenyl)carbonyl-amino]-4-phenyl-butanoate Openeye Name: methyl 2-[(3-carbamimidoylphenyl)methyl]-3-[methyl-(4-phenylbenzoyl)amino]-4-phenyl-butanoate CAS Name: 2-[(3-carbamimidoylphenyl)methyl]-3-[methyl-[oxo-(4-phenylphenyl)methyl]amino]-4-phenylbutanoic acid methyl ester IUPAC Name: methyl 2-[(3-carbamimidoylphenyl)methyl]-3-[methyl-(4-phenylbenzoyl)amino]-4-phenylbutanoate Traditional Name: 2-(3-amidinobenzyl)-3-[methyl-(4-phenylbenzoyl)amino]-4-phenyl-butyric acid methyl ester Formula: C33H33N3O3 MolecularWeight: 519.63342

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(CC1=CC=CC=C1)C(CC2=CC=CC(=C2)C(=N)N)C(=O)OC)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CN(C(CC1=CC=CC=C1)C(CC2=CC=CC(=C2)C(=N)N)C(=O)OC)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C33H33N3O3/c1-36(32(37)27-18-16-26(17-19-27)25-13-7-4-8-14-25)30(22-23-10-5-3-6-11-23)29(33(38)39-2)21-24-12-9-15-28(20-24)31(34)35/h3-20,29-30H,21-22H2,1-2H3,(H3,34,35)