(3S)-3-(aminomethyl)-5-methyl-hexanoic acid hydrate

Systemtic Name: (3S)-3-(aminomethyl)-5-methyl-hexanoic acid hydrate Openeye Name: (3S)-3-(aminomethyl)-5-methyl-hexanoic acid hydrate CAS Name: (3S)-3-(aminomethyl)-5-methylhexanoic acid hydrate IUPAC Name: (3S)-3-(aminomethyl)-5-methylhexanoic acid hydrate Traditional Name: (3S)-3-(aminomethyl)-5-methyl-hexanoic acid hydrate Formula: C8H19NO3 MolecularWeight: 177.24136

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CC(=O)O)CN.O

Isomeric SMILES

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

InChI

InChI=1S/C8H17NO2.H2O/c1-6(2)3-7(5-9)4-8(10)11;/h6-7H,3-5,9H2,1-2H3,(H,10,11);1H2/t7-;/m0./s1