(2S)-2-[2-(2-azaniumylethanoylamino)ethanoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[2-(2-azaniumylethanoylamino)ethanoylamino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[[2-[(2-azaniumylacetyl)amino]acetyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[2-[(2-ammonio-1-oxoethyl)amino]-1-oxoethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[[2-[(2-azaniumylacetyl)amino]acetyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[2-[(2-ammonioacetyl)amino]acetyl]amino]-4-(methylthio)butyrate Formula: C9H17N3O4S MolecularWeight: 263.31398

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)[O-])NC(=O)CNC(=O)C[NH3+]

Isomeric SMILES

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

InChI

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