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

Systemtic Name: 2-[[5-carbamimidoyl-2-[[(3-methylphenyl)carbonylamino]methyl]phenyl]amino]ethanoic acid Openeye Name: 2-[5-carbamimidoyl-2-[[(3-methylbenzoyl)amino]methyl]anilino]acetic acid CAS Name: 2-[5-carbamimidoyl-2-[[[(3-methylphenyl)-oxomethyl]amino]methyl]anilino]acetic acid IUPAC Name: 2-[5-carbamimidoyl-2-[[(3-methylbenzoyl)amino]methyl]anilino]acetic acid Traditional Name: 2-[5-amidino-2-[(m-toluoylamino)methyl]anilino]acetic acid Formula: C18H20N4O3 MolecularWeight: 340.3764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NCC2=C(C=C(C=C2)C(=N)N)NCC(=O)O

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NCC2=C(C=C(C=C2)C(=N)N)NCC(=O)O

InChI

InChI=1S/C18H20N4O3/c1-11-3-2-4-13(7-11)18(25)22-9-14-6-5-12(17(19)20)8-15(14)21-10-16(23)24/h2-8,21H,9-10H2,1H3,(H3,19,20)(H,22,25)(H,23,24)