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

Systemtic Name: (2S)-4-methylsulfanyl-2-(octadecanoylamino)butanoic acid Openeye Name: (2S)-4-methylsulfanyl-2-(octadecanoylamino)butanoic acid CAS Name: (2S)-4-(methylthio)-2-(1-oxooctadecylamino)butanoic acid IUPAC Name: (2S)-4-methylsulfanyl-2-(octadecanoylamino)butanoic acid Traditional Name: (2S)-4-(methylthio)-2-stearamido-butyric acid Formula: C23H45NO3S MolecularWeight: 415.6733

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC(CCSC)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C23H45NO3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(25)24-21(23(26)27)19-20-28-2/h21H,3-20H2,1-2H3,(H,24,25)(H,26,27)/t21-/m0/s1