2-[[5-carbamimidoyl-2-[[(3-hydroxyphenyl)carbonylamino]methyl]phenyl]amino]ethanoic acid

Systemtic Name: 2-[[5-carbamimidoyl-2-[[(3-hydroxyphenyl)carbonylamino]methyl]phenyl]amino]ethanoic acid Openeye Name: 2-[5-carbamimidoyl-2-[[(3-hydroxybenzoyl)amino]methyl]anilino]acetic acid CAS Name: 2-[5-carbamimidoyl-2-[[[(3-hydroxyphenyl)-oxomethyl]amino]methyl]anilino]acetic acid IUPAC Name: 2-[5-carbamimidoyl-2-[[(3-hydroxybenzoyl)amino]methyl]anilino]acetic acid Traditional Name: 2-[5-amidino-2-[[(3-hydroxybenzoyl)amino]methyl]anilino]acetic acid Formula: C17H18N4O4 MolecularWeight: 342.34922

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)O)C(=O)NCC2=C(C=C(C=C2)C(=N)N)NCC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)O)C(=O)NCC2=C(C=C(C=C2)C(=N)N)NCC(=O)O

InChI

InChI=1S/C17H18N4O4/c18-16(19)10-4-5-12(14(7-10)20-9-15(23)24)8-21-17(25)11-2-1-3-13(22)6-11/h1-7,20,22H,8-9H2,(H3,18,19)(H,21,25)(H,23,24)