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

Systemtic Name: (2S)-2-azaniumyl-3-propylsulfanyl-propanoate Openeye Name: (2S)-2-azaniumyl-3-propylsulfanyl-propanoate CAS Name: (2S)-2-ammonio-3-(propylthio)propanoate IUPAC Name: (2S)-2-azaniumyl-3-propylsulfanylpropanoate Traditional Name: (2S)-2-ammonio-3-(propylthio)propionate Formula: C6H13NO2S MolecularWeight: 163.23792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCSCC(C(=O)[O-])[NH3+]

Isomeric SMILES

CCCSC[C@H](C(=O)[O-])[NH3+]

InChI

InChI=1S/C6H13NO2S/c1-2-3-10-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m1/s1