(3S,4S)-4-azaniumyl-6-methyl-3-oxidanyl-heptanoate

Systemtic Name: (3S,4S)-4-azaniumyl-6-methyl-3-oxidanyl-heptanoate Openeye Name: (3S,4S)-4-azaniumyl-3-hydroxy-6-methyl-heptanoate CAS Name: (3S,4S)-4-ammonio-3-hydroxy-6-methylheptanoate IUPAC Name: (3S,4S)-4-azaniumyl-3-hydroxy-6-methylheptanoate Traditional Name: (3S,4S)-4-ammonio-3-hydroxy-6-methyl-enanthate Formula: C8H17NO3 MolecularWeight: 175.22548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(CC(=O)[O-])O)[NH3+]

Isomeric SMILES

CC(C)C[C@@H]([C@H](CC(=O)[O-])O)[NH3+]

InChI

InChI=1S/C8H17NO3/c1-5(2)3-6(9)7(10)4-8(11)12/h5-7,10H,3-4,9H2,1-2H3,(H,11,12)/t6-,7-/m0/s1