(2S)-2-azaniumyl-3-[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl]sulfanyl-propanoate

Systemtic Name: (2S)-2-azaniumyl-3-[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl]sulfanyl-propanoate Openeye Name: (2S)-2-azaniumyl-3-[2-(2-cyanoethylamino)-2-oxo-ethyl]sulfanyl-propanoate CAS Name: (2S)-2-ammonio-3-[[2-(2-cyanoethylamino)-2-oxoethyl]thio]propanoate IUPAC Name: (2S)-2-azaniumyl-3-[2-(2-cyanoethylamino)-2-oxoethyl]sulfanylpropanoate Traditional Name: (2S)-2-ammonio-3-[[2-(2-cyanoethylamino)-2-keto-ethyl]thio]propionate Formula: C8H13N3O3S MolecularWeight: 231.27212

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Descriptors Computed from Structure

Canonical SMILES:

C(CNC(=O)CSCC(C(=O)[O-])[NH3+])C#N

Isomeric SMILES

C(CNC(=O)CSC[C@H](C(=O)[O-])[NH3+])C#N

InChI

InChI=1S/C8H13N3O3S/c9-2-1-3-11-7(12)5-15-4-6(10)8(13)14/h6H,1,3-5,10H2,(H,11,12)(H,13,14)/t6-/m1/s1