2-[[2-(2-acetamido-5-methoxy-4-phenylmethoxy-phenyl)-2-[(4-carbamimidoylphenyl)amino]ethanoyl]-(phenylmethyl)amino]ethanoic acid

Systemtic Name: 2-[[2-(2-acetamido-5-methoxy-4-phenylmethoxy-phenyl)-2-[(4-carbamimidoylphenyl)amino]ethanoyl]-(phenylmethyl)amino]ethanoic acid Openeye Name: 2-[[2-(2-acetamido-4-benzyloxy-5-methoxy-phenyl)-2-(4-carbamimidoylanilino)acetyl]-benzyl-amino]acetic acid CAS Name: 2-[[2-(2-acetamido-5-methoxy-4-phenylmethoxyphenyl)-2-(4-carbamimidoylanilino)-1-oxoethyl]-(phenylmethyl)amino]acetic acid IUPAC Name: 2-[[2-(2-acetamido-5-methoxy-4-phenylmethoxyphenyl)-2-(4-carbamimidoylanilino)acetyl]-benzylamino]acetic acid Traditional Name: 2-[[2-(2-acetamido-4-benzoxy-5-methoxy-phenyl)-2-(4-amidinoanilino)acetyl]-benzyl-amino]acetic acid Formula: C34H35N5O6 MolecularWeight: 609.6716

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1C(C(=O)N(CC2=CC=CC=C2)CC(=O)O)NC3=CC=C(C=C3)C(=N)N)OC)OCC4=CC=CC=C4

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1C(C(=O)N(CC2=CC=CC=C2)CC(=O)O)NC3=CC=C(C=C3)C(=N)N)OC)OCC4=CC=CC=C4

InChI

InChI=1S/C34H35N5O6/c1-22(40)37-28-18-30(45-21-24-11-7-4-8-12-24)29(44-2)17-27(28)32(38-26-15-13-25(14-16-26)33(35)36)34(43)39(20-31(41)42)19-23-9-5-3-6-10-23/h3-18,32,38H,19-21H2,1-2H3,(H3,35,36)(H,37,40)(H,41,42)