methyl (2S)-3-methyl-2-(2-morpholin-4-ium-4-ylethylcarbamoylamino)butanoate

Systemtic Name: methyl (2S)-3-methyl-2-(2-morpholin-4-ium-4-ylethylcarbamoylamino)butanoate Openeye Name: methyl (2S)-3-methyl-2-(2-morpholin-4-ium-4-ylethylcarbamoylamino)butanoate CAS Name: (2S)-3-methyl-2-[[[2-(4-morpholin-4-iumyl)ethylamino]-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-3-methyl-2-(2-morpholin-4-ium-4-ylethylcarbamoylamino)butanoate Traditional Name: (2S)-3-methyl-2-(2-morpholin-4-ium-4-ylethylcarbamoylamino)butyric acid methyl ester Formula: C13H26N3O4+ MolecularWeight: 288.36324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NC(=O)NCC[NH+]1CCOCC1

Isomeric SMILES

CC(C)[C@@H](C(=O)OC)NC(=O)NCC[NH+]1CCOCC1

InChI

InChI=1S/C13H25N3O4/c1-10(2)11(12(17)19-3)15-13(18)14-4-5-16-6-8-20-9-7-16/h10-11H,4-9H2,1-3H3,(H2,14,15,18)/p+1/t11-/m0/s1