(2S)-4-methyl-2-(2-morpholin-4-ium-4-ylethylcarbamoylamino)pentanoate

Systemtic Name: (2S)-4-methyl-2-(2-morpholin-4-ium-4-ylethylcarbamoylamino)pentanoate Openeye Name: (2S)-4-methyl-2-(2-morpholin-4-ium-4-ylethylcarbamoylamino)pentanoate CAS Name: (2S)-4-methyl-2-[[[2-(4-morpholin-4-iumyl)ethylamino]-oxomethyl]amino]pentanoate IUPAC Name: (2S)-4-methyl-2-(2-morpholin-4-ium-4-ylethylcarbamoylamino)pentanoate Traditional Name: (2S)-4-methyl-2-(2-morpholin-4-ium-4-ylethylcarbamoylamino)valerate Formula: C13H25N3O4 MolecularWeight: 287.3553

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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