(2S,3R)-2-azanyl-4,4-dimethyl-3-oxidanyl-pentanoic acid hydrate

Systemtic Name: (2S,3R)-2-azanyl-4,4-dimethyl-3-oxidanyl-pentanoic acid hydrate Openeye Name: (2S,3R)-2-amino-3-hydroxy-4,4-dimethyl-pentanoic acid hydrate CAS Name: (2S,3R)-2-amino-3-hydroxy-4,4-dimethylpentanoic acid hydrate IUPAC Name: (2S,3R)-2-amino-3-hydroxy-4,4-dimethylpentanoic acid hydrate Traditional Name: (2S,3R)-2-amino-3-hydroxy-4,4-dimethyl-valeric acid hydrate Formula: C7H17NO4 MolecularWeight: 179.21418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H15NO3.H2O/c1-7(2,3)5(9)4(8)6(10)11;/h4-5,9H,8H2,1-3H3,(H,10,11);1H2/t4-,5-;/m0./s1