5-(3-carbamimidoylphenoxy)-4-[(4-carbamimidoylphenyl)carbonylamino]pentanoic acid

Systemtic Name: 5-(3-carbamimidoylphenoxy)-4-[(4-carbamimidoylphenyl)carbonylamino]pentanoic acid Openeye Name: 4-[(4-carbamimidoylbenzoyl)amino]-5-(3-carbamimidoylphenoxy)pentanoic acid CAS Name: 5-(3-carbamimidoylphenoxy)-4-[[(4-carbamimidoylphenyl)-oxomethyl]amino]pentanoic acid IUPAC Name: 4-[(4-carbamimidoylbenzoyl)amino]-5-(3-carbamimidoylphenoxy)pentanoic acid Traditional Name: 4-[(4-amidinobenzoyl)amino]-5-(3-amidinophenoxy)valeric acid Formula: C20H23N5O4 MolecularWeight: 397.42772

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OCC(CCC(=O)O)NC(=O)C2=CC=C(C=C2)C(=N)N)C(=N)N

Isomeric SMILES

C1=CC(=CC(=C1)OCC(CCC(=O)O)NC(=O)C2=CC=C(C=C2)C(=N)N)C(=N)N

InChI

InChI=1S/C20H23N5O4/c21-18(22)12-4-6-13(7-5-12)20(28)25-15(8-9-17(26)27)11-29-16-3-1-2-14(10-16)19(23)24/h1-7,10,15H,8-9,11H2,(H3,21,22)(H3,23,24)(H,25,28)(H,26,27)