(2S,3R)-3-methyl-2-(2-morpholin-4-ium-4-ylethylcarbamoylamino)pentanoate

Systemtic Name: (2S,3R)-3-methyl-2-(2-morpholin-4-ium-4-ylethylcarbamoylamino)pentanoate Openeye Name: (2S,3R)-3-methyl-2-(2-morpholin-4-ium-4-ylethylcarbamoylamino)pentanoate CAS Name: (2S,3R)-3-methyl-2-[[[2-(4-morpholin-4-iumyl)ethylamino]-oxomethyl]amino]pentanoate IUPAC Name: (2S,3R)-3-methyl-2-(2-morpholin-4-ium-4-ylethylcarbamoylamino)pentanoate Traditional Name: (2S,3R)-3-methyl-2-(2-morpholin-4-ium-4-ylethylcarbamoylamino)valerate Formula: C13H25N3O4 MolecularWeight: 287.3553

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H25N3O4/c1-3-10(2)11(12(17)18)15-13(19)14-4-5-16-6-8-20-9-7-16/h10-11H,3-9H2,1-2H3,(H,17,18)(H2,14,15,19)/t10-,11+/m1/s1