8-[[(2S)-2-(8-azanyloctanoylamino)-4-methylsulfanyl-butanoyl]amino]octanoic acid

Systemtic Name: 8-[[(2S)-2-(8-azanyloctanoylamino)-4-methylsulfanyl-butanoyl]amino]octanoic acid Openeye Name: 8-[[(2S)-2-(8-aminooctanoylamino)-4-methylsulfanyl-butanoyl]amino]octanoic acid CAS Name: 8-[[(2S)-2-[(8-amino-1-oxooctyl)amino]-4-(methylthio)-1-oxobutyl]amino]octanoic acid IUPAC Name: 8-[[(2S)-2-(8-aminooctanoylamino)-4-methylsulfanylbutanoyl]amino]octanoic acid Traditional Name: 8-[[(2S)-2-(8-aminooctanoylamino)-4-(methylthio)butanoyl]amino]caprylic acid Formula: C21H41N3O4S MolecularWeight: 431.63294

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCCCCCCCC(=O)O)NC(=O)CCCCCCCN

Isomeric SMILES

CSCC[C@@H](C(=O)NCCCCCCCC(=O)O)NC(=O)CCCCCCCN

InChI

InChI=1S/C21H41N3O4S/c1-29-17-14-18(24-19(25)12-8-4-2-6-10-15-22)21(28)23-16-11-7-3-5-9-13-20(26)27/h18H,2-17,22H2,1H3,(H,23,28)(H,24,25)(H,26,27)/t18-/m0/s1