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

Systemtic Name: (2S,3R)-3-methyl-2-(3-morpholin-4-ium-4-ylpropylcarbamoylamino)pentanoate Openeye Name: (2S,3R)-3-methyl-2-(3-morpholin-4-ium-4-ylpropylcarbamoylamino)pentanoate CAS Name: (2S,3R)-3-methyl-2-[[[3-(4-morpholin-4-iumyl)propylamino]-oxomethyl]amino]pentanoate IUPAC Name: (2S,3R)-3-methyl-2-(3-morpholin-4-ium-4-ylpropylcarbamoylamino)pentanoate Traditional Name: (2S,3R)-3-methyl-2-(3-morpholin-4-ium-4-ylpropylcarbamoylamino)valerate Formula: C14H27N3O4 MolecularWeight: 301.38188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H27N3O4/c1-3-11(2)12(13(18)19)16-14(20)15-5-4-6-17-7-9-21-10-8-17/h11-12H,3-10H2,1-2H3,(H,18,19)(H2,15,16,20)/t11-,12+/m1/s1