2-[2-[[4-carbamimidoyl-2-(3-methoxy-4-phenylmethoxy-phenyl)phenyl]amino]ethanoylamino]propanoic acid

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

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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

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

InChI

InChI=1S/C26H28N4O5/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/h3-13,16,29H,14-15H2,1-2H3,(H3,27,28)(H,30,31)(H,32,33)