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

Systemtic Name: (2S)-2-azaniumyl-3-[2-(cyanomethylamino)-2-oxidanylidene-ethyl]sulfanyl-propanoate Openeye Name: (2S)-2-azaniumyl-3-[2-(cyanomethylamino)-2-oxo-ethyl]sulfanyl-propanoate CAS Name: (2S)-2-ammonio-3-[[2-(cyanomethylamino)-2-oxoethyl]thio]propanoate IUPAC Name: (2S)-2-azaniumyl-3-[2-(cyanomethylamino)-2-oxoethyl]sulfanylpropanoate Traditional Name: (2S)-2-ammonio-3-[[2-(cyanomethylamino)-2-keto-ethyl]thio]propionate Formula: C7H11N3O3S MolecularWeight: 217.24554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H11N3O3S/c8-1-2-10-6(11)4-14-3-5(9)7(12)13/h5H,2-4,9H2,(H,10,11)(H,12,13)/t5-/m1/s1