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

Systemtic Name: 4-[[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]carbonylamino]butanoic acid Openeye Name: 4-[[4-(2-methylthiazol-4-yl)-1H-pyrrole-2-carbonyl]amino]butanoic acid CAS Name: 4-[[[4-(2-methyl-4-thiazolyl)-1H-pyrrol-2-yl]-oxomethyl]amino]butanoic acid IUPAC Name: 4-[[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carbonyl]amino]butanoic acid Traditional Name: 4-[[4-(2-methylthiazol-4-yl)-1H-pyrrole-2-carbonyl]amino]butyric acid Formula: C13H15N3O3S MolecularWeight: 293.3415

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O3S/c1-8-16-11(7-20-8)9-5-10(15-6-9)13(19)14-4-2-3-12(17)18/h5-7,15H,2-4H2,1H3,(H,14,19)(H,17,18)