2-methyl-2-[[(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]amino]pentanoic acid

Systemtic Name: 2-methyl-2-[[(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]amino]pentanoic acid Openeye Name: 2-methyl-2-[[(E)-3-(2-methylthiazol-4-yl)prop-2-enoyl]amino]pentanoic acid CAS Name: 2-methyl-2-[[(E)-3-(2-methyl-4-thiazolyl)-1-oxoprop-2-enyl]amino]pentanoic acid IUPAC Name: 2-methyl-2-[[(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]amino]pentanoic acid Traditional Name: 2-methyl-2-[[(E)-3-(2-methylthiazol-4-yl)acryloyl]amino]valeric acid Formula: C13H18N2O3S MolecularWeight: 282.35862

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C(=O)O)NC(=O)C=CC1=CSC(=N1)C

Isomeric SMILES

CCCC(C)(C(=O)O)NC(=O)/C=C/C1=CSC(=N1)C

InChI

InChI=1S/C13H18N2O3S/c1-4-7-13(3,12(17)18)15-11(16)6-5-10-8-19-9(2)14-10/h5-6,8H,4,7H2,1-3H3,(H,15,16)(H,17,18)/b6-5+