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

Systemtic Name: methyl (2S,3S)-3-methyl-2-(2-morpholin-4-ium-4-ylethylcarbamoylamino)pentanoate Openeye Name: methyl (2S,3S)-3-methyl-2-(2-morpholin-4-ium-4-ylethylcarbamoylamino)pentanoate CAS Name: (2S,3S)-3-methyl-2-[[[2-(4-morpholin-4-iumyl)ethylamino]-oxomethyl]amino]pentanoic acid methyl ester IUPAC Name: methyl (2S,3S)-3-methyl-2-(2-morpholin-4-ium-4-ylethylcarbamoylamino)pentanoate Traditional Name: (2S,3S)-3-methyl-2-(2-morpholin-4-ium-4-ylethylcarbamoylamino)valeric acid methyl ester Formula: C14H28N3O4+ MolecularWeight: 302.38982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H27N3O4/c1-4-11(2)12(13(18)20-3)16-14(19)15-5-6-17-7-9-21-10-8-17/h11-12H,4-10H2,1-3H3,(H2,15,16,19)/p+1/t11-,12-/m0/s1