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

Systemtic Name: (2S)-2-[[(2S,3R)-2-azaniumyl-3-oxidanyl-butanoyl]amino]-3-methyl-butanoate Openeye Name: (2S)-2-[[(2S,3R)-2-azaniumyl-3-hydroxy-butanoyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2S,3R)-2-ammonio-3-hydroxy-1-oxobutyl]amino]-3-methylbutanoate IUPAC Name: (2S)-2-[[(2S,3R)-2-azaniumyl-3-hydroxybutanoyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[(2S,3R)-2-ammonio-3-hydroxy-butanoyl]amino]-3-methyl-butyrate Formula: C9H18N2O4 MolecularWeight: 218.25022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H18N2O4/c1-4(2)7(9(14)15)11-8(13)6(10)5(3)12/h4-7,12H,10H2,1-3H3,(H,11,13)(H,14,15)/t5-,6+,7+/m1/s1