(2S,3S)-2-azanyl-3-methyl-pentanoic acid; methyl (2S)-2-azanyl-3-methyl-butanoate

Systemtic Name: (2S,3S)-2-azanyl-3-methyl-pentanoic acid; methyl (2S)-2-azanyl-3-methyl-butanoate Openeye Name: (2S,3S)-2-amino-3-methyl-pentanoic acid; methyl (2S)-2-amino-3-methyl-butanoate CAS Name: (2S)-2-amino-3-methylbutanoic acid methyl ester; (2S,3S)-2-amino-3-methylpentanoic acid IUPAC Name: (2S,3S)-2-amino-3-methylpentanoic acid; methyl (2S)-2-amino-3-methylbutanoate Traditional Name: (2S)-2-amino-3-methyl-butyric acid methyl ester; (2S,3S)-2-amino-3-methyl-valeric acid Formula: C12H26N2O4 MolecularWeight: 262.34584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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