3-[[2-[(4-carbamimidoylphenyl)amino]-2-(3-methoxy-4-phenylmethoxy-phenyl)ethanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: 3-[[2-[(4-carbamimidoylphenyl)amino]-2-(3-methoxy-4-phenylmethoxy-phenyl)ethanoyl]amino]-3-phenyl-propanoic acid Openeye Name: 3-[[2-(4-benzyloxy-3-methoxy-phenyl)-2-(4-carbamimidoylanilino)acetyl]amino]-3-phenyl-propanoic acid CAS Name: 3-[[2-(4-carbamimidoylanilino)-2-(3-methoxy-4-phenylmethoxyphenyl)-1-oxoethyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-[[2-(4-carbamimidoylanilino)-2-(3-methoxy-4-phenylmethoxyphenyl)acetyl]amino]-3-phenylpropanoic acid Traditional Name: 3-[[2-(4-amidinoanilino)-2-(4-benzoxy-3-methoxy-phenyl)acetyl]amino]-3-phenyl-propionic acid Formula: C32H32N4O5 MolecularWeight: 552.62028

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(C(=O)NC(CC(=O)O)C2=CC=CC=C2)NC3=CC=C(C=C3)C(=N)N)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C(C(=O)NC(CC(=O)O)C2=CC=CC=C2)NC3=CC=C(C=C3)C(=N)N)OCC4=CC=CC=C4

InChI

InChI=1S/C32H32N4O5/c1-40-28-18-24(14-17-27(28)41-20-21-8-4-2-5-9-21)30(35-25-15-12-23(13-16-25)31(33)34)32(39)36-26(19-29(37)38)22-10-6-3-7-11-22/h2-18,26,30,35H,19-20H2,1H3,(H3,33,34)(H,36,39)(H,37,38)