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

Systemtic Name: methyl (2S)-3-methyl-2-(octanoylamino)butanoate Openeye Name: methyl (2S)-3-methyl-2-(octanoylamino)butanoate CAS Name: (2S)-3-methyl-2-(1-oxooctylamino)butanoic acid methyl ester IUPAC Name: methyl (2S)-3-methyl-2-(octanoylamino)butanoate Traditional Name: (2S)-2-(caprylylamino)-3-methyl-butyric acid methyl ester Formula: C14H27NO3 MolecularWeight: 257.36908

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(C(C)C)C(=O)OC

Isomeric SMILES

CCCCCCCC(=O)N[C@@H](C(C)C)C(=O)OC

InChI

InChI=1S/C14H27NO3/c1-5-6-7-8-9-10-12(16)15-13(11(2)3)14(17)18-4/h11,13H,5-10H2,1-4H3,(H,15,16)/t13-/m0/s1