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

Systemtic Name: (2S)-2-[[(2S,3R)-2-azaniumyl-3-oxidanyl-butanoyl]amino]pentanedioate Openeye Name: (2S)-2-[[(2S,3R)-2-azaniumyl-3-hydroxy-butanoyl]amino]pentanedioate CAS Name: (2S)-2-[[(2S,3R)-2-ammonio-3-hydroxy-1-oxobutyl]amino]pentanedioate IUPAC Name: (2S)-2-[[(2S,3R)-2-azaniumyl-3-hydroxybutanoyl]amino]pentanedioate Traditional Name: (2S)-2-[[(2S,3R)-2-ammonio-3-hydroxy-butanoyl]amino]glutarate Formula: C9H15N2O6- MolecularWeight: 247.2252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H16N2O6/c1-4(12)7(10)8(15)11-5(9(16)17)2-3-6(13)14/h4-5,7,12H,2-3,10H2,1H3,(H,11,15)(H,13,14)(H,16,17)/p-1/t4-,5+,7+/m1/s1