(3R)-3-[[1-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrrol-2-yl]carbonylamino]butanoate

Systemtic Name: (3R)-3-[[1-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrrol-2-yl]carbonylamino]butanoate Openeye Name: (3R)-3-[[1-methyl-4-(2-methylthiazol-4-yl)pyrrole-2-carbonyl]amino]butanoate CAS Name: (3R)-3-[[[1-methyl-4-(2-methyl-4-thiazolyl)-2-pyrrolyl]-oxomethyl]amino]butanoate IUPAC Name: (3R)-3-[[1-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrrole-2-carbonyl]amino]butanoate Traditional Name: (3R)-3-[[1-methyl-4-(2-methylthiazol-4-yl)pyrrole-2-carbonyl]amino]butyrate Formula: C14H16N3O3S- MolecularWeight: 306.36014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O3S/c1-8(4-13(18)19)15-14(20)12-5-10(6-17(12)3)11-7-21-9(2)16-11/h5-8H,4H2,1-3H3,(H,15,20)(H,18,19)/p-1/t8-/m1/s1