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

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

CC1=NC(=CS1)C=CC(=O)NC(CC(C)C)C(=O)O

Isomeric SMILES

CC1=NC(=CS1)/C=C/C(=O)NC(CC(C)C)C(=O)O

InChI

InChI=1S/C13H18N2O3S/c1-8(2)6-11(13(17)18)15-12(16)5-4-10-7-19-9(3)14-10/h4-5,7-8,11H,6H2,1-3H3,(H,15,16)(H,17,18)/b5-4+