methyl (2S)-2-(heptylamino)-3-methyl-butanoate

Systemtic Name: methyl (2S)-2-(heptylamino)-3-methyl-butanoate Openeye Name: methyl (2S)-2-(heptylamino)-3-methyl-butanoate CAS Name: (2S)-2-(heptylamino)-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-(heptylamino)-3-methylbutanoate Traditional Name: (2S)-2-(heptylamino)-3-methyl-butyric acid methyl ester Formula: C13H27NO2 MolecularWeight: 229.35898

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC(C(C)C)C(=O)OC

Isomeric SMILES

CCCCCCCN[C@@H](C(C)C)C(=O)OC

InChI

InChI=1S/C13H27NO2/c1-5-6-7-8-9-10-14-12(11(2)3)13(15)16-4/h11-12,14H,5-10H2,1-4H3/t12-/m0/s1