(2S)-2-azanyl-4-methyl-pentanoic acid; (2R,3S,4R,5R)-2,3,4,5,6-pentakis(oxidanyl)hexanal

Systemtic Name: (2S)-2-azanyl-4-methyl-pentanoic acid; (2R,3S,4R,5R)-2,3,4,5,6-pentakis(oxidanyl)hexanal Openeye Name: (2S)-2-amino-4-methyl-pentanoic acid; (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal CAS Name: (2S)-2-amino-4-methylpentanoic acid; (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal IUPAC Name: (2S)-2-amino-4-methylpentanoic acid; (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal Traditional Name: (2S)-2-amino-4-methyl-valeric acid; (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal Formula: C12H25NO8 MolecularWeight: 311.3288

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)N.C(C(C(C(C(C=O)O)O)O)O)O

Isomeric SMILES

CC(C)C[C@@H](C(=O)O)N.C([C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)O

InChI

InChI=1S/C6H13NO2.C6H12O6/c1-4(2)3-5(7)6(8)9;7-1-3(9)5(11)6(12)4(10)2-8/h4-5H,3,7H2,1-2H3,(H,8,9);1,3-6,8-12H,2H2/t5-;3-,4+,5+,6+/m00/s1