3-[(2S)-1-(3-methylbutylamino)-1-oxidanylidene-propan-2-yl]sulfonylpropanoate

Systemtic Name: 3-[(2S)-1-(3-methylbutylamino)-1-oxidanylidene-propan-2-yl]sulfonylpropanoate Openeye Name: 3-[(1S)-2-(isopentylamino)-1-methyl-2-oxo-ethyl]sulfonylpropanoate CAS Name: 3-[(2S)-1-(3-methylbutylamino)-1-oxopropan-2-yl]sulfonylpropanoate IUPAC Name: 3-[(2S)-1-(3-methylbutylamino)-1-oxopropan-2-yl]sulfonylpropanoate Traditional Name: 3-[(1S)-2-(isoamylamino)-2-keto-1-methyl-ethyl]sulfonylpropionate Formula: C11H20NO5S- MolecularWeight: 278.3452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C(C)S(=O)(=O)CCC(=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NCCC(C)C)S(=O)(=O)CCC(=O)[O-]

InChI

InChI=1S/C11H21NO5S/c1-8(2)4-6-12-11(15)9(3)18(16,17)7-5-10(13)14/h8-9H,4-7H2,1-3H3,(H,12,15)(H,13,14)/p-1/t9-/m0/s1