methyl (2S)-4-methyl-2-(octanoylamino)pentanoate

Systemtic Name: methyl (2S)-4-methyl-2-(octanoylamino)pentanoate Openeye Name: methyl (2S)-4-methyl-2-(octanoylamino)pentanoate CAS Name: (2S)-4-methyl-2-(1-oxooctylamino)pentanoic acid methyl ester IUPAC Name: methyl (2S)-4-methyl-2-(octanoylamino)pentanoate Traditional Name: (2S)-2-(caprylylamino)-4-methyl-valeric acid methyl ester Formula: C15H29NO3 MolecularWeight: 271.39566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H29NO3/c1-5-6-7-8-9-10-14(17)16-13(11-12(2)3)15(18)19-4/h12-13H,5-11H2,1-4H3,(H,16,17)/t13-/m0/s1