(2S)-2-azaniumyl-3-(3-cyanopropylsulfanyl)propanoate

Systemtic Name: (2S)-2-azaniumyl-3-(3-cyanopropylsulfanyl)propanoate Openeye Name: (2S)-2-azaniumyl-3-(3-cyanopropylsulfanyl)propanoate CAS Name: (2S)-2-ammonio-3-(3-cyanopropylthio)propanoate IUPAC Name: (2S)-2-azaniumyl-3-(3-cyanopropylsulfanyl)propanoate Traditional Name: (2S)-2-ammonio-3-(3-cyanopropylthio)propionate Formula: C7H12N2O2S MolecularWeight: 188.24738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H12N2O2S/c8-3-1-2-4-12-5-6(9)7(10)11/h6H,1-2,4-5,9H2,(H,10,11)/t6-/m1/s1