3-[[3-[(4-carbamimidoylphenyl)carbonylamino]-4-phenylmethoxy-phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[3-[(4-carbamimidoylphenyl)carbonylamino]-4-phenylmethoxy-phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-benzyloxy-3-[(4-carbamimidoylbenzoyl)amino]benzoyl]amino]propanoic acid CAS Name: 3-[[[3-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-4-phenylmethoxyphenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[3-[(4-carbamimidoylbenzoyl)amino]-4-phenylmethoxybenzoyl]amino]propanoic acid Traditional Name: 3-[[3-[(4-amidinobenzoyl)amino]-4-benzoxy-benzoyl]amino]propionic acid Formula: C25H24N4O5 MolecularWeight: 460.48186

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=C(C=C2)C(=O)NCCC(=O)O)NC(=O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2)C(=O)NCCC(=O)O)NC(=O)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C25H24N4O5/c26-23(27)17-6-8-18(9-7-17)25(33)29-20-14-19(24(32)28-13-12-22(30)31)10-11-21(20)34-15-16-4-2-1-3-5-16/h1-11,14H,12-13,15H2,(H3,26,27)(H,28,32)(H,29,33)(H,30,31)