2-[[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]carbonylamino]-3-oxidanyl-propanoic acid

Systemtic Name: 2-[[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]carbonylamino]-3-oxidanyl-propanoic acid Openeye Name: 3-hydroxy-2-[[4-(2-methylthiazol-4-yl)-1H-pyrrole-2-carbonyl]amino]propanoic acid CAS Name: 3-hydroxy-2-[[[4-(2-methyl-4-thiazolyl)-1H-pyrrol-2-yl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-hydroxy-2-[[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carbonyl]amino]propanoic acid Traditional Name: 3-hydroxy-2-[[4-(2-methylthiazol-4-yl)-1H-pyrrole-2-carbonyl]amino]propionic acid Formula: C12H13N3O4S MolecularWeight: 295.31432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C2=CNC(=C2)C(=O)NC(CO)C(=O)O

Isomeric SMILES

CC1=NC(=CS1)C2=CNC(=C2)C(=O)NC(CO)C(=O)O

InChI

InChI=1S/C12H13N3O4S/c1-6-14-10(5-20-6)7-2-8(13-3-7)11(17)15-9(4-16)12(18)19/h2-3,5,9,13,16H,4H2,1H3,(H,15,17)(H,18,19)