2-[[4-(dodecylcarbamoyl)phenyl]methyl-(1,3-thiazol-2-ylmethyl)amino]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[[4-(dodecylcarbamoyl)phenyl]methyl-(1,3-thiazol-2-ylmethyl)amino]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[[4-(dodecylcarbamoyl)phenyl]methyl-(thiazol-2-ylmethyl)amino]-2-oxo-acetic acid CAS Name: 2-[[4-[(dodecylamino)-oxomethyl]phenyl]methyl-(2-thiazolylmethyl)amino]-2-oxoacetic acid IUPAC Name: 2-[[4-(dodecylcarbamoyl)phenyl]methyl-(1,3-thiazol-2-ylmethyl)amino]-2-oxoacetic acid Traditional Name: 2-keto-2-[[4-(laurylcarbamoyl)benzyl]-(thiazol-2-ylmethyl)amino]acetic acid Formula: C26H37N3O4S MolecularWeight: 487.65468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCNC(=O)C1=CC=C(C=C1)CN(CC2=NC=CS2)C(=O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCNC(=O)C1=CC=C(C=C1)CN(CC2=NC=CS2)C(=O)C(=O)O

InChI

InChI=1S/C26H37N3O4S/c1-2-3-4-5-6-7-8-9-10-11-16-28-24(30)22-14-12-21(13-15-22)19-29(25(31)26(32)33)20-23-27-17-18-34-23/h12-15,17-18H,2-11,16,19-20H2,1H3,(H,28,30)(H,32,33)