2-[(4-carbamimidoylphenyl)amino]-2-[5-methoxy-2-(2-phenylethanoylamino)-4-phenylmethoxy-phenyl]ethanoic acid

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-[5-methoxy-2-(2-phenylethanoylamino)-4-phenylmethoxy-phenyl]ethanoic acid Openeye Name: 2-[4-benzyloxy-5-methoxy-2-[(2-phenylacetyl)amino]phenyl]-2-(4-carbamimidoylanilino)acetic acid CAS Name: 2-(4-carbamimidoylanilino)-2-[5-methoxy-2-[(1-oxo-2-phenylethyl)amino]-4-phenylmethoxyphenyl]acetic acid IUPAC Name: 2-(4-carbamimidoylanilino)-2-[5-methoxy-2-[(2-phenylacetyl)amino]-4-phenylmethoxyphenyl]acetic acid Traditional Name: 2-(4-amidinoanilino)-2-[4-benzoxy-5-methoxy-2-[(2-phenylacetyl)amino]phenyl]acetic acid Formula: C31H30N4O5 MolecularWeight: 538.5937

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(C(=O)O)NC2=CC=C(C=C2)C(=N)N)NC(=O)CC3=CC=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C(=C1)C(C(=O)O)NC2=CC=C(C=C2)C(=N)N)NC(=O)CC3=CC=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C31H30N4O5/c1-39-26-17-24(29(31(37)38)34-23-14-12-22(13-15-23)30(32)33)25(35-28(36)16-20-8-4-2-5-9-20)18-27(26)40-19-21-10-6-3-7-11-21/h2-15,17-18,29,34H,16,19H2,1H3,(H3,32,33)(H,35,36)(H,37,38)