heptyl (2S)-2-azanyl-3-methyl-butanoate

Systemtic Name: heptyl (2S)-2-azanyl-3-methyl-butanoate Openeye Name: heptyl (2S)-2-amino-3-methyl-butanoate CAS Name: (2S)-2-amino-3-methylbutanoic acid heptyl ester IUPAC Name: heptyl (2S)-2-amino-3-methylbutanoate Traditional Name: (2S)-2-amino-3-methyl-butyric acid heptyl ester Formula: C12H25NO2 MolecularWeight: 215.3324

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C(C(C)C)N

Isomeric SMILES

CCCCCCCOC(=O)[C@H](C(C)C)N

InChI

InChI=1S/C12H25NO2/c1-4-5-6-7-8-9-15-12(14)11(13)10(2)3/h10-11H,4-9,13H2,1-3H3/t11-/m0/s1