(2S)-4-methylsulfanyl-2-(octanoylamino)butanoic acid

Systemtic Name: (2S)-4-methylsulfanyl-2-(octanoylamino)butanoic acid Openeye Name: (2S)-4-methylsulfanyl-2-(octanoylamino)butanoic acid CAS Name: (2S)-4-(methylthio)-2-(1-oxooctylamino)butanoic acid IUPAC Name: (2S)-4-methylsulfanyl-2-(octanoylamino)butanoic acid Traditional Name: (2S)-2-(caprylylamino)-4-(methylthio)butyric acid Formula: C13H25NO3S MolecularWeight: 275.4075

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H25NO3S/c1-3-4-5-6-7-8-12(15)14-11(13(16)17)9-10-18-2/h11H,3-10H2,1-2H3,(H,14,15)(H,16,17)/t11-/m0/s1