3-[[2-[(4-methylphenyl)carbonylamino]-1,3-thiazol-4-yl]carbonylamino]propanoic acid

Systemtic Name: 3-[[2-[(4-methylphenyl)carbonylamino]-1,3-thiazol-4-yl]carbonylamino]propanoic acid Openeye Name: 3-[[2-[(4-methylbenzoyl)amino]thiazole-4-carbonyl]amino]propanoic acid CAS Name: 3-[[[2-[[(4-methylphenyl)-oxomethyl]amino]-4-thiazolyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[2-[(4-methylbenzoyl)amino]-1,3-thiazole-4-carbonyl]amino]propanoic acid Traditional Name: 3-[[2-(p-toluoylamino)thiazole-4-carbonyl]amino]propionic acid Formula: C15H15N3O4S MolecularWeight: 333.3623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=NC(=CS2)C(=O)NCCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=NC(=CS2)C(=O)NCCC(=O)O

InChI

InChI=1S/C15H15N3O4S/c1-9-2-4-10(5-3-9)13(21)18-15-17-11(8-23-15)14(22)16-7-6-12(19)20/h2-5,8H,6-7H2,1H3,(H,16,22)(H,19,20)(H,17,18,21)