(2S)-3-methyl-2-(octanoylamino)butanoic acid

Systemtic Name: (2S)-3-methyl-2-(octanoylamino)butanoic acid Openeye Name: (2S)-3-methyl-2-(octanoylamino)butanoic acid CAS Name: (2S)-3-methyl-2-(1-oxooctylamino)butanoic acid IUPAC Name: (2S)-3-methyl-2-(octanoylamino)butanoic acid Traditional Name: (2S)-2-(caprylylamino)-3-methyl-butyric acid Formula: C13H25NO3 MolecularWeight: 243.3425

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H25NO3/c1-4-5-6-7-8-9-11(15)14-12(10(2)3)13(16)17/h10,12H,4-9H2,1-3H3,(H,14,15)(H,16,17)/t12-/m0/s1