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

Systemtic Name: 4-[(4-aminocarbonylphenyl)carbonylamino]-5-(3-carbamimidoylphenoxy)pentanoic acid Openeye Name: 5-(3-carbamimidoylphenoxy)-4-[(4-carbamoylbenzoyl)amino]pentanoic acid CAS Name: 5-(3-carbamimidoylphenoxy)-4-[[(4-carbamoylphenyl)-oxomethyl]amino]pentanoic acid IUPAC Name: 5-(3-carbamimidoylphenoxy)-4-[(4-carbamoylbenzoyl)amino]pentanoic acid Traditional Name: 5-(3-amidinophenoxy)-4-[(4-carbamoylbenzoyl)amino]valeric acid Formula: C20H22N4O5 MolecularWeight: 398.41248

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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(=O)N)C(=N)N

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O5/c21-18(22)14-2-1-3-16(10-14)29-11-15(8-9-17(25)26)24-20(28)13-6-4-12(5-7-13)19(23)27/h1-7,10,15H,8-9,11H2,(H3,21,22)(H2,23,27)(H,24,28)(H,25,26)