2-[2-[2-[(2-methylphenyl)carbonyl-propan-2-yl-amino]ethanoylamino]-1,3-thiazol-4-yl]ethanoic acid

Systemtic Name: 2-[2-[2-[(2-methylphenyl)carbonyl-propan-2-yl-amino]ethanoylamino]-1,3-thiazol-4-yl]ethanoic acid Openeye Name: 2-[2-[[2-[isopropyl-(2-methylbenzoyl)amino]acetyl]amino]thiazol-4-yl]acetic acid CAS Name: 2-[2-[[2-[[(2-methylphenyl)-oxomethyl]-propan-2-ylamino]-1-oxoethyl]amino]-4-thiazolyl]acetic acid IUPAC Name: 2-[2-[[2-[(2-methylbenzoyl)-propan-2-ylamino]acetyl]amino]-1,3-thiazol-4-yl]acetic acid Traditional Name: 2-[2-[[2-[isopropyl(o-toluoyl)amino]acetyl]amino]thiazol-4-yl]acetic acid Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N(CC(=O)NC2=NC(=CS2)CC(=O)O)C(C)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)N(CC(=O)NC2=NC(=CS2)CC(=O)O)C(C)C

InChI

InChI=1S/C18H21N3O4S/c1-11(2)21(17(25)14-7-5-4-6-12(14)3)9-15(22)20-18-19-13(10-26-18)8-16(23)24/h4-7,10-11H,8-9H2,1-3H3,(H,23,24)(H,19,20,22)