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

Systemtic Name: 3-[[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]carbonylamino]propanoic acid Openeye Name: 3-[[4-(2-methylthiazol-4-yl)-1H-pyrrole-2-carbonyl]amino]propanoic acid CAS Name: 3-[[[4-(2-methyl-4-thiazolyl)-1H-pyrrol-2-yl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carbonyl]amino]propanoic acid Traditional Name: 3-[[4-(2-methylthiazol-4-yl)-1H-pyrrole-2-carbonyl]amino]propionic acid Formula: C12H13N3O3S MolecularWeight: 279.31492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O3S/c1-7-15-10(6-19-7)8-4-9(14-5-8)12(18)13-3-2-11(16)17/h4-6,14H,2-3H2,1H3,(H,13,18)(H,16,17)