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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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