(2S)-4-methylsulfanyl-2-[(2-oxidanylidene-2-piperidin-1-yl-ethyl)carbamoylamino]butanoate

Systemtic Name: (2S)-4-methylsulfanyl-2-[(2-oxidanylidene-2-piperidin-1-yl-ethyl)carbamoylamino]butanoate Openeye Name: (2S)-4-methylsulfanyl-2-[[2-oxo-2-(1-piperidyl)ethyl]carbamoylamino]butanoate CAS Name: (2S)-4-(methylthio)-2-[[oxo-[[2-oxo-2-(1-piperidinyl)ethyl]amino]methyl]amino]butanoate IUPAC Name: (2S)-4-methylsulfanyl-2-[(2-oxo-2-piperidin-1-ylethyl)carbamoylamino]butanoate Traditional Name: (2S)-2-[(2-keto-2-piperidino-ethyl)carbamoylamino]-4-(methylthio)butyrate Formula: C13H22N3O4S- MolecularWeight: 316.39648

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)[O-])NC(=O)NCC(=O)N1CCCCC1

Isomeric SMILES

CSCC[C@@H](C(=O)[O-])NC(=O)NCC(=O)N1CCCCC1

InChI

InChI=1S/C13H23N3O4S/c1-21-8-5-10(12(18)19)15-13(20)14-9-11(17)16-6-3-2-4-7-16/h10H,2-9H2,1H3,(H,18,19)(H2,14,15,20)/p-1/t10-/m0/s1