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

Systemtic Name: 2-[[2-[(4-carbamimidoylphenyl)amino]-2-(3-methoxy-4-phenylmethoxy-phenyl)ethanoyl]amino]propanoic acid Openeye Name: 2-[[2-(4-benzyloxy-3-methoxy-phenyl)-2-(4-carbamimidoylanilino)acetyl]amino]propanoic acid CAS Name: 2-[[2-(4-carbamimidoylanilino)-2-(3-methoxy-4-phenylmethoxyphenyl)-1-oxoethyl]amino]propanoic acid IUPAC Name: 2-[[2-(4-carbamimidoylanilino)-2-(3-methoxy-4-phenylmethoxyphenyl)acetyl]amino]propanoic acid Traditional Name: 2-[[2-(4-amidinoanilino)-2-(4-benzoxy-3-methoxy-phenyl)acetyl]amino]propionic acid Formula: C26H28N4O5 MolecularWeight: 476.52432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)C(C1=CC(=C(C=C1)OCC2=CC=CC=C2)OC)NC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CC(C(=O)O)NC(=O)C(C1=CC(=C(C=C1)OCC2=CC=CC=C2)OC)NC3=CC=C(C=C3)C(=N)N

InChI

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