(E)-2-[(3-carbamimidoylphenyl)methyl]-5-phenyl-3-[(4-phenylphenyl)carbonylamino]pent-4-enoic acid

Systemtic Name: (E)-2-[(3-carbamimidoylphenyl)methyl]-5-phenyl-3-[(4-phenylphenyl)carbonylamino]pent-4-enoic acid Openeye Name: (E)-2-[(3-carbamimidoylphenyl)methyl]-5-phenyl-3-[(4-phenylbenzoyl)amino]pent-4-enoic acid CAS Name: (E)-2-[(3-carbamimidoylphenyl)methyl]-3-[[oxo-(4-phenylphenyl)methyl]amino]-5-phenyl-4-pentenoic acid IUPAC Name: (E)-2-[(3-carbamimidoylphenyl)methyl]-5-phenyl-3-[(4-phenylbenzoyl)amino]pent-4-enoic acid Traditional Name: (E)-2-(3-amidinobenzyl)-5-phenyl-3-[(4-phenylbenzoyl)amino]pent-4-enoic acid Formula: C32H29N3O3 MolecularWeight: 503.59096

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC(C(CC2=CC=CC(=C2)C(=N)N)C(=O)O)NC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)/C=C/C(C(CC2=CC=CC(=C2)C(=N)N)C(=O)O)NC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C32H29N3O3/c33-30(34)27-13-7-10-23(20-27)21-28(32(37)38)29(19-14-22-8-3-1-4-9-22)35-31(36)26-17-15-25(16-18-26)24-11-5-2-6-12-24/h1-20,28-29H,21H2,(H3,33,34)(H,35,36)(H,37,38)/b19-14+