(2S)-2-[[(2S,3R)-2-azaniumyl-3-oxidanyl-butanoyl]amino]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[[(2S,3R)-2-azaniumyl-3-oxidanyl-butanoyl]amino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[[(2S,3R)-2-azaniumyl-3-hydroxy-butanoyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(2S,3R)-2-ammonio-3-hydroxy-1-oxobutyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[[(2S,3R)-2-azaniumyl-3-hydroxybutanoyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[(2S,3R)-2-ammonio-3-hydroxy-butanoyl]amino]-4-(methylthio)butyrate Formula: C9H18N2O4S MolecularWeight: 250.31522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)NC(CCSC)C(=O)[O-])[NH3+])O

Isomeric SMILES

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

InChI

InChI=1S/C9H18N2O4S/c1-5(12)7(10)8(13)11-6(9(14)15)3-4-16-2/h5-7,12H,3-4,10H2,1-2H3,(H,11,13)(H,14,15)/t5-,6+,7+/m1/s1