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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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