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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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