6-[2-(4-carbamimidoylphenyl)carbonylimino-5-(2-carboxyethylcarbamoyl)-4-methyl-1,3-thiazol-3-yl]hexanoic acid

Systemtic Name: 6-[2-(4-carbamimidoylphenyl)carbonylimino-5-(2-carboxyethylcarbamoyl)-4-methyl-1,3-thiazol-3-yl]hexanoic acid Openeye Name: 6-[2-(4-carbamimidoylbenzoyl)imino-5-(2-carboxyethylcarbamoyl)-4-methyl-thiazol-3-yl]hexanoic acid CAS Name: 6-[2-[(4-carbamimidoylphenyl)-oxomethyl]imino-5-[(2-carboxyethylamino)-oxomethyl]-4-methyl-3-thiazolyl]hexanoic acid IUPAC Name: 6-[2-(4-carbamimidoylbenzoyl)imino-5-(2-carboxyethylcarbamoyl)-4-methyl-1,3-thiazol-3-yl]hexanoic acid Traditional Name: 6-[2-(4-amidinobenzoyl)imino-5-(2-carboxyethylcarbamoyl)-4-methyl-4-thiazolin-3-yl]hexanoic acid Formula: C22H27N5O6S MolecularWeight: 489.54468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=NC(=O)C2=CC=C(C=C2)C(=N)N)N1CCCCCC(=O)O)C(=O)NCCC(=O)O

Isomeric SMILES

CC1=C(SC(=NC(=O)C2=CC=C(C=C2)C(=N)N)N1CCCCCC(=O)O)C(=O)NCCC(=O)O

InChI

InChI=1S/C22H27N5O6S/c1-13-18(21(33)25-11-10-17(30)31)34-22(27(13)12-4-2-3-5-16(28)29)26-20(32)15-8-6-14(7-9-15)19(23)24/h6-9H,2-5,10-12H2,1H3,(H3,23,24)(H,25,33)(H,28,29)(H,30,31)