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

Systemtic Name: 2-[[1-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrrol-2-yl]carbonylamino]-3-oxidanyl-propanoic acid Openeye Name: 3-hydroxy-2-[[1-methyl-4-(2-methylthiazol-4-yl)pyrrole-2-carbonyl]amino]propanoic acid CAS Name: 3-hydroxy-2-[[[1-methyl-4-(2-methyl-4-thiazolyl)-2-pyrrolyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-hydroxy-2-[[1-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrrole-2-carbonyl]amino]propanoic acid Traditional Name: 3-hydroxy-2-[[1-methyl-4-(2-methylthiazol-4-yl)pyrrole-2-carbonyl]amino]propionic acid Formula: C13H15N3O4S MolecularWeight: 309.3409

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O4S/c1-7-14-10(6-21-7)8-3-11(16(2)4-8)12(18)15-9(5-17)13(19)20/h3-4,6,9,17H,5H2,1-2H3,(H,15,18)(H,19,20)