2-[2-[[4-carbamimidoyl-2-(3-methoxy-4-phenylmethoxy-phenyl)phenyl]amino]ethanoylamino]propanoate; ethanoic acid

Systemtic Name: 2-[2-[[4-carbamimidoyl-2-(3-methoxy-4-phenylmethoxy-phenyl)phenyl]amino]ethanoylamino]propanoate; ethanoic acid Openeye Name: acetic acid; 2-[[2-[2-(4-benzyloxy-3-methoxy-phenyl)-4-carbamimidoyl-anilino]acetyl]amino]propanoate CAS Name: acetic acid; 2-[[2-[4-carbamimidoyl-2-(3-methoxy-4-phenylmethoxyphenyl)anilino]-1-oxoethyl]amino]propanoate IUPAC Name: acetic acid; 2-[[2-[4-carbamimidoyl-2-(3-methoxy-4-phenylmethoxyphenyl)anilino]acetyl]amino]propanoate Traditional Name: acetic acid; 2-[[2-[4-amidino-2-(4-benzoxy-3-methoxy-phenyl)anilino]acetyl]amino]propionate Formula: C28H31N4O7- MolecularWeight: 535.56834

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])NC(=O)CNC1=C(C=C(C=C1)C(=N)N)C2=CC(=C(C=C2)OCC3=CC=CC=C3)OC.CC(=O)O

Isomeric SMILES

CC(C(=O)[O-])NC(=O)CNC1=C(C=C(C=C1)C(=N)N)C2=CC(=C(C=C2)OCC3=CC=CC=C3)OC.CC(=O)O

InChI

InChI=1S/C26H28N4O5.C2H4O2/c1-16(26(32)33)30-24(31)14-29-21-10-8-19(25(27)28)12-20(21)18-9-11-22(23(13-18)34-2)35-15-17-6-4-3-5-7-17;1-2(3)4/h3-13,16,29H,14-15H2,1-2H3,(H3,27,28)(H,30,31)(H,32,33);1H3,(H,3,4)/p-1