(4S)-4-azaniumyl-5-[[(2S,3R)-1-oxidanidyl-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-5-oxidanylidene-pentanoate

Systemtic Name: (4S)-4-azaniumyl-5-[[(2S,3R)-1-oxidanidyl-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-5-oxidanylidene-pentanoate Openeye Name: (4S)-4-azaniumyl-5-[[(1S,2R)-1-carboxylato-2-hydroxy-propyl]amino]-5-oxo-pentanoate CAS Name: (4S)-4-ammonio-5-[[(2S,3R)-3-hydroxy-1-oxido-1-oxobutan-2-yl]amino]-5-oxopentanoate IUPAC Name: (4S)-4-azaniumyl-5-[[(2S,3R)-3-hydroxy-1-oxido-1-oxobutan-2-yl]amino]-5-oxopentanoate Traditional Name: (4S)-4-ammonio-5-[[(1S,2R)-1-carboxylato-2-hydroxy-propyl]amino]-5-keto-valerate Formula: C9H15N2O6- MolecularWeight: 247.2252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H16N2O6/c1-4(12)7(9(16)17)11-8(15)5(10)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