2-[4-[2-[(4-carbamimidoylphenyl)carbonylamino]-3-oxidanyl-butanoyl]phenoxy]ethanoic acid

Systemtic Name: 2-[4-[2-[(4-carbamimidoylphenyl)carbonylamino]-3-oxidanyl-butanoyl]phenoxy]ethanoic acid Openeye Name: 2-[4-[2-[(4-carbamimidoylbenzoyl)amino]-3-hydroxy-butanoyl]phenoxy]acetic acid CAS Name: 2-[4-[2-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-3-hydroxy-1-oxobutyl]phenoxy]acetic acid IUPAC Name: 2-[4-[2-[(4-carbamimidoylbenzoyl)amino]-3-hydroxybutanoyl]phenoxy]acetic acid Traditional Name: 2-[4-[2-[(4-amidinobenzoyl)amino]-3-hydroxy-butanoyl]phenoxy]acetic acid Formula: C20H21N3O6 MolecularWeight: 399.39724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O6/c1-11(24)17(23-20(28)14-4-2-13(3-5-14)19(21)22)18(27)12-6-8-15(9-7-12)29-10-16(25)26/h2-9,11,17,24H,10H2,1H3,(H3,21,22)(H,23,28)(H,25,26)