(2S)-4-methylsulfanyl-2-[(2-morpholin-4-yl-2-oxidanylidene-ethyl)carbamoylamino]butanoate

Systemtic Name: (2S)-4-methylsulfanyl-2-[(2-morpholin-4-yl-2-oxidanylidene-ethyl)carbamoylamino]butanoate Openeye Name: (2S)-4-methylsulfanyl-2-[(2-morpholino-2-oxo-ethyl)carbamoylamino]butanoate CAS Name: (2S)-4-(methylthio)-2-[[[[2-(4-morpholinyl)-2-oxoethyl]amino]-oxomethyl]amino]butanoate IUPAC Name: (2S)-4-methylsulfanyl-2-[(2-morpholin-4-yl-2-oxoethyl)carbamoylamino]butanoate Traditional Name: (2S)-2-[(2-keto-2-morpholino-ethyl)carbamoylamino]-4-(methylthio)butyrate Formula: C12H20N3O5S- MolecularWeight: 318.3693

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)[O-])NC(=O)NCC(=O)N1CCOCC1

Isomeric SMILES

CSCC[C@@H](C(=O)[O-])NC(=O)NCC(=O)N1CCOCC1

InChI

InChI=1S/C12H21N3O5S/c1-21-7-2-9(11(17)18)14-12(19)13-8-10(16)15-3-5-20-6-4-15/h9H,2-8H2,1H3,(H,17,18)(H2,13,14,19)/p-1/t9-/m0/s1