2-[(4-carbamimidoylphenyl)amino]-2-[4-(carboxymethyloxy)-3-methylsulfanyl-phenyl]ethanoic acid

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-[4-(carboxymethyloxy)-3-methylsulfanyl-phenyl]ethanoic acid Openeye Name: 2-(4-carbamimidoylanilino)-2-[4-(carboxymethyloxy)-3-methylsulfanyl-phenyl]acetic acid CAS Name: 2-(4-carbamimidoylanilino)-2-[4-(carboxymethyloxy)-3-(methylthio)phenyl]acetic acid IUPAC Name: 2-(4-carbamimidoylanilino)-2-[4-(carboxymethyloxy)-3-methylsulfanylphenyl]acetic acid Traditional Name: 2-(4-amidinoanilino)-2-[4-(carboxymethyloxy)-3-(methylthio)phenyl]acetic acid Formula: C18H19N3O5S MolecularWeight: 389.42556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC(=C1)C(C(=O)O)NC2=CC=C(C=C2)C(=N)N)OCC(=O)O

Isomeric SMILES

CSC1=C(C=CC(=C1)C(C(=O)O)NC2=CC=C(C=C2)C(=N)N)OCC(=O)O

InChI

InChI=1S/C18H19N3O5S/c1-27-14-8-11(4-7-13(14)26-9-15(22)23)16(18(24)25)21-12-5-2-10(3-6-12)17(19)20/h2-8,16,21H,9H2,1H3,(H3,19,20)(H,22,23)(H,24,25)