(3S)-3-azanyl-4-[1-(1-methyl-3,5,8-trioxabicyclo[2.2.2]octan-4-yl)ethylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-3-azanyl-4-[1-(1-methyl-3,5,8-trioxabicyclo[2.2.2]octan-4-yl)ethylamino]-4-oxidanylidene-butanoic acid Openeye Name: (3S)-3-amino-4-[1-(1-methyl-3,5,8-trioxabicyclo[2.2.2]octan-4-yl)ethylamino]-4-oxo-butanoic acid CAS Name: (3S)-3-amino-4-[1-(1-methyl-3,5,8-trioxabicyclo[2.2.2]octan-4-yl)ethylamino]-4-oxobutanoic acid IUPAC Name: (3S)-3-amino-4-[1-(1-methyl-3,5,8-trioxabicyclo[2.2.2]octan-4-yl)ethylamino]-4-oxobutanoic acid Traditional Name: (3S)-3-amino-4-keto-4-[1-(1-methyl-3,5,8-trioxabicyclo[2.2.2]octan-4-yl)ethylamino]butyric acid Formula: C12H20N2O6 MolecularWeight: 288.297

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12OCC(CO1)(CO2)C)NC(=O)C(CC(=O)O)N

Isomeric SMILES

CC(C12OCC(CO1)(CO2)C)NC(=O)[C@H](CC(=O)O)N

InChI

InChI=1S/C12H20N2O6/c1-7(14-10(17)8(13)3-9(15)16)12-18-4-11(2,5-19-12)6-20-12/h7-8H,3-6,13H2,1-2H3,(H,14,17)(H,15,16)/t7?,8-,11?,12?/m0/s1