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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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