(3S)-3-acetyloxy-4-(octylamino)-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-3-acetyloxy-4-(octylamino)-4-oxidanylidene-butanoic acid Openeye Name: (3S)-3-acetoxy-4-(octylamino)-4-oxo-butanoic acid CAS Name: (3S)-3-acetyloxy-4-(octylamino)-4-oxobutanoic acid IUPAC Name: (3S)-3-acetyloxy-4-(octylamino)-4-oxobutanoic acid Traditional Name: (3S)-3-acetoxy-4-keto-4-(octylamino)butyric acid Formula: C14H25NO5 MolecularWeight: 287.352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)C(CC(=O)O)OC(=O)C

Isomeric SMILES

CCCCCCCCNC(=O)[C@H](CC(=O)O)OC(=O)C

InChI

InChI=1S/C14H25NO5/c1-3-4-5-6-7-8-9-15-14(19)12(10-13(17)18)20-11(2)16/h12H,3-10H2,1-2H3,(H,15,19)(H,17,18)/t12-/m0/s1