methyl (2S)-2-(heptan-4-ylamino)-3-methyl-butanoate

Systemtic Name: methyl (2S)-2-(heptan-4-ylamino)-3-methyl-butanoate Openeye Name: methyl (2S)-3-methyl-2-(1-propylbutylamino)butanoate CAS Name: (2S)-2-(heptan-4-ylamino)-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-(heptan-4-ylamino)-3-methylbutanoate Traditional Name: (2S)-3-methyl-2-(1-propylbutylamino)butyric acid methyl ester Formula: C13H27NO2 MolecularWeight: 229.35898

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)NC(C(C)C)C(=O)OC

Isomeric SMILES

CCCC(CCC)N[C@@H](C(C)C)C(=O)OC

InChI

InChI=1S/C13H27NO2/c1-6-8-11(9-7-2)14-12(10(3)4)13(15)16-5/h10-12,14H,6-9H2,1-5H3/t12-/m0/s1