(2S)-2-[[(E)-2-methylbut-2-enoyl]amino]-3-(3-methylimidazol-4-yl)propanoic acid

Systemtic Name: (2S)-2-[[(E)-2-methylbut-2-enoyl]amino]-3-(3-methylimidazol-4-yl)propanoic acid Openeye Name: (2S)-2-[[(E)-2-methylbut-2-enoyl]amino]-3-(3-methylimidazol-4-yl)propanoic acid CAS Name: (2S)-3-(3-methyl-4-imidazolyl)-2-[[(E)-2-methyl-1-oxobut-2-enyl]amino]propanoic acid IUPAC Name: (2S)-2-[[(E)-2-methylbut-2-enoyl]amino]-3-(3-methylimidazol-4-yl)propanoic acid Traditional Name: (2S)-2-[[(E)-2-methylbut-2-enoyl]amino]-3-(3-methylimidazol-4-yl)propionic acid Formula: C12H17N3O3 MolecularWeight: 251.28168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=C(C)C(=O)NC(CC1=CN=CN1C)C(=O)O

Isomeric SMILES

C/C=C(\C)/C(=O)N[C@@H](CC1=CN=CN1C)C(=O)O

InChI

InChI=1S/C12H17N3O3/c1-4-8(2)11(16)14-10(12(17)18)5-9-6-13-7-15(9)3/h4,6-7,10H,5H2,1-3H3,(H,14,16)(H,17,18)/b8-4+/t10-/m0/s1