(2S)-4-methylsulfanyl-2-(2-morpholin-4-ium-4-ylethylcarbamoylamino)butanoate

Systemtic Name: (2S)-4-methylsulfanyl-2-(2-morpholin-4-ium-4-ylethylcarbamoylamino)butanoate Openeye Name: (2S)-4-methylsulfanyl-2-(2-morpholin-4-ium-4-ylethylcarbamoylamino)butanoate CAS Name: (2S)-4-(methylthio)-2-[[[2-(4-morpholin-4-iumyl)ethylamino]-oxomethyl]amino]butanoate IUPAC Name: (2S)-4-methylsulfanyl-2-(2-morpholin-4-ium-4-ylethylcarbamoylamino)butanoate Traditional Name: (2S)-4-(methylthio)-2-(2-morpholin-4-ium-4-ylethylcarbamoylamino)butyrate Formula: C12H23N3O4S MolecularWeight: 305.39372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H23N3O4S/c1-20-9-2-10(11(16)17)14-12(18)13-3-4-15-5-7-19-8-6-15/h10H,2-9H2,1H3,(H,16,17)(H2,13,14,18)/t10-/m0/s1