(2S)-2-[(2R)-4-oxidanylidene-4-(1,3-thiazol-2-ylamino)butan-2-yl]hexanoate

Systemtic Name: (2S)-2-[(2R)-4-oxidanylidene-4-(1,3-thiazol-2-ylamino)butan-2-yl]hexanoate Openeye Name: (2S)-2-[(1R)-1-methyl-3-oxo-3-(thiazol-2-ylamino)propyl]hexanoate CAS Name: (2S)-2-[(2R)-4-oxo-4-(2-thiazolylamino)butan-2-yl]hexanoate IUPAC Name: (2S)-2-[(2R)-4-oxo-4-(1,3-thiazol-2-ylamino)butan-2-yl]hexanoate Traditional Name: (2S)-2-[(1R)-3-keto-1-methyl-3-(thiazol-2-ylamino)propyl]hexanoate Formula: C13H19N2O3S- MolecularWeight: 283.36656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(C)CC(=O)NC1=NC=CS1)C(=O)[O-]

Isomeric SMILES

CCCC[C@@H]([C@H](C)CC(=O)NC1=NC=CS1)C(=O)[O-]

InChI

InChI=1S/C13H20N2O3S/c1-3-4-5-10(12(17)18)9(2)8-11(16)15-13-14-6-7-19-13/h6-7,9-10H,3-5,8H2,1-2H3,(H,17,18)(H,14,15,16)/p-1/t9-,10+/m1/s1