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

Systemtic Name: (2S)-3-methyl-2-[[1-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrrol-2-yl]carbonylamino]butanoic acid Openeye Name: (2S)-3-methyl-2-[[1-methyl-4-(2-methylthiazol-4-yl)pyrrole-2-carbonyl]amino]butanoic acid CAS Name: (2S)-3-methyl-2-[[[1-methyl-4-(2-methyl-4-thiazolyl)-2-pyrrolyl]-oxomethyl]amino]butanoic acid IUPAC Name: (2S)-3-methyl-2-[[1-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrrole-2-carbonyl]amino]butanoic acid Traditional Name: (2S)-3-methyl-2-[[1-methyl-4-(2-methylthiazol-4-yl)pyrrole-2-carbonyl]amino]butyric acid Formula: C15H19N3O3S MolecularWeight: 321.39466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=NC(=CS1)C2=CN(C(=C2)C(=O)N[C@@H](C(C)C)C(=O)O)C

InChI

InChI=1S/C15H19N3O3S/c1-8(2)13(15(20)21)17-14(19)12-5-10(6-18(12)4)11-7-22-9(3)16-11/h5-8,13H,1-4H3,(H,17,19)(H,20,21)/t13-/m0/s1