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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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