2-[(2,4-dimethyl-1,3-thiazol-5-yl)carbonylamino]-3-(1H-indol-3-yl)propanoic acid

Systemtic Name: 2-[(2,4-dimethyl-1,3-thiazol-5-yl)carbonylamino]-3-(1H-indol-3-yl)propanoic acid Openeye Name: 2-[(2,4-dimethylthiazole-5-carbonyl)amino]-3-(1H-indol-3-yl)propanoic acid CAS Name: 2-[[(2,4-dimethyl-5-thiazolyl)-oxomethyl]amino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: 2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: 2-[(2,4-dimethylthiazole-5-carbonyl)amino]-3-(1H-indol-3-yl)propionic acid Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O

Isomeric SMILES

CC1=C(SC(=N1)C)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C17H17N3O3S/c1-9-15(24-10(2)19-9)16(21)20-14(17(22)23)7-11-8-18-13-6-4-3-5-12(11)13/h3-6,8,14,18H,7H2,1-2H3,(H,20,21)(H,22,23)