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

Systemtic Name: 4-[[1-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrrol-2-yl]carbonylamino]butanoic acid Openeye Name: 4-[[1-methyl-4-(2-methylthiazol-4-yl)pyrrole-2-carbonyl]amino]butanoic acid CAS Name: 4-[[[1-methyl-4-(2-methyl-4-thiazolyl)-2-pyrrolyl]-oxomethyl]amino]butanoic acid IUPAC Name: 4-[[1-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrrole-2-carbonyl]amino]butanoic acid Traditional Name: 4-[[1-methyl-4-(2-methylthiazol-4-yl)pyrrole-2-carbonyl]amino]butyric acid Formula: C14H17N3O3S MolecularWeight: 307.36808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O3S/c1-9-16-11(8-21-9)10-6-12(17(2)7-10)14(20)15-5-3-4-13(18)19/h6-8H,3-5H2,1-2H3,(H,15,20)(H,18,19)