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

Systemtic Name: (2S)-2-[[1-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrrol-2-yl]carbonylamino]propanoate Openeye Name: (2S)-2-[[1-methyl-4-(2-methylthiazol-4-yl)pyrrole-2-carbonyl]amino]propanoate CAS Name: (2S)-2-[[[1-methyl-4-(2-methyl-4-thiazolyl)-2-pyrrolyl]-oxomethyl]amino]propanoate IUPAC Name: (2S)-2-[[1-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrrole-2-carbonyl]amino]propanoate Traditional Name: (2S)-2-[[1-methyl-4-(2-methylthiazol-4-yl)pyrrole-2-carbonyl]amino]propionate Formula: C13H14N3O3S- MolecularWeight: 292.33356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C2=CN(C(=C2)C(=O)NC(C)C(=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O3S/c1-7(13(18)19)14-12(17)11-4-9(5-16(11)3)10-6-20-8(2)15-10/h4-7H,1-3H3,(H,14,17)(H,18,19)/p-1/t7-/m0/s1