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

Systemtic Name: (2S)-3-(acetamidomethylsulfanyl)-2-azaniumyl-propanoate Openeye Name: (2S)-3-(acetamidomethylsulfanyl)-2-azaniumyl-propanoate CAS Name: (2S)-3-(acetamidomethylthio)-2-ammoniopropanoate IUPAC Name: (2S)-3-(acetamidomethylsulfanyl)-2-azaniumylpropanoate Traditional Name: (2S)-3-(acetamidomethylthio)-2-ammonio-propionate Formula: C6H12N2O3S MolecularWeight: 192.23608

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCSCC(C(=O)[O-])[NH3+]

Isomeric SMILES

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

InChI

InChI=1S/C6H12N2O3S/c1-4(9)8-3-12-2-5(7)6(10)11/h5H,2-3,7H2,1H3,(H,8,9)(H,10,11)/t5-/m1/s1