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

Systemtic Name: methyl (2S,3S)-3-methyl-2-(3-morpholin-4-ium-4-ylpropylcarbamoylamino)pentanoate Openeye Name: methyl (2S,3S)-3-methyl-2-(3-morpholin-4-ium-4-ylpropylcarbamoylamino)pentanoate CAS Name: (2S,3S)-3-methyl-2-[[[3-(4-morpholin-4-iumyl)propylamino]-oxomethyl]amino]pentanoic acid methyl ester IUPAC Name: methyl (2S,3S)-3-methyl-2-(3-morpholin-4-ium-4-ylpropylcarbamoylamino)pentanoate Traditional Name: (2S,3S)-3-methyl-2-(3-morpholin-4-ium-4-ylpropylcarbamoylamino)valeric acid methyl ester Formula: C15H30N3O4+ MolecularWeight: 316.4164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H29N3O4/c1-4-12(2)13(14(19)21-3)17-15(20)16-6-5-7-18-8-10-22-11-9-18/h12-13H,4-11H2,1-3H3,(H2,16,17,20)/p+1/t12-,13-/m0/s1