2-[2-[[(2S)-2-azaniumyl-4-methylsulfanyl-butanoyl]amino]ethanoylamino]ethanoate

Systemtic Name: 2-[2-[[(2S)-2-azaniumyl-4-methylsulfanyl-butanoyl]amino]ethanoylamino]ethanoate Openeye Name: 2-[[2-[[(2S)-2-azaniumyl-4-methylsulfanyl-butanoyl]amino]acetyl]amino]acetate CAS Name: 2-[[2-[[(2S)-2-ammonio-4-(methylthio)-1-oxobutyl]amino]-1-oxoethyl]amino]acetate IUPAC Name: 2-[[2-[[(2S)-2-azaniumyl-4-methylsulfanylbutanoyl]amino]acetyl]amino]acetate Traditional Name: 2-[[2-[[(2S)-2-ammonio-4-(methylthio)butanoyl]amino]acetyl]amino]acetate Formula: C9H17N3O4S MolecularWeight: 263.31398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCC(=O)NCC(=O)[O-])[NH3+]

Isomeric SMILES

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

InChI

InChI=1S/C9H17N3O4S/c1-17-3-2-6(10)9(16)12-4-7(13)11-5-8(14)15/h6H,2-5,10H2,1H3,(H,11,13)(H,12,16)(H,14,15)/t6-/m0/s1