(3S)-3-(aminomethyl)-5-methyl-hexanoic acid; 2-oxidanylbutanedioic acid

Systemtic Name: (3S)-3-(aminomethyl)-5-methyl-hexanoic acid; 2-oxidanylbutanedioic acid Openeye Name: (3S)-3-(aminomethyl)-5-methyl-hexanoic acid; 2-hydroxybutanedioic acid CAS Name: (3S)-3-(aminomethyl)-5-methylhexanoic acid; 2-hydroxybutanedioic acid IUPAC Name: (3S)-3-(aminomethyl)-5-methylhexanoic acid; 2-hydroxybutanedioic acid Traditional Name: (3S)-3-(aminomethyl)-5-methyl-hexanoic acid; malic acid Formula: C12H23NO7 MolecularWeight: 293.31352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H17NO2.C4H6O5/c1-6(2)3-7(5-9)4-8(10)11;5-2(4(8)9)1-3(6)7/h6-7H,3-5,9H2,1-2H3,(H,10,11);2,5H,1H2,(H,6,7)(H,8,9)/t7-;/m0./s1