21-[2-[[2-oxidanylidene-2-(2-sulfanylethylamino)ethanoyl]amino]ethylsulfanyl]henicosanoic acid

Systemtic Name: 21-[2-[[2-oxidanylidene-2-(2-sulfanylethylamino)ethanoyl]amino]ethylsulfanyl]henicosanoic acid Openeye Name: 21-[2-[[2-oxo-2-(2-sulfanylethylamino)acetyl]amino]ethylsulfanyl]henicosanoic acid CAS Name: 21-[2-[[2-(2-mercaptoethylamino)-1,2-dioxoethyl]amino]ethylthio]heneicosanoic acid IUPAC Name: 21-[2-[[2-oxo-2-(2-sulfanylethylamino)acetyl]amino]ethylsulfanyl]henicosanoic acid Traditional Name: 21-[2-[[2-keto-2-(2-mercaptoethylamino)acetyl]amino]ethylthio]heneicosanoic acid Formula: C27H52N2O4S2 MolecularWeight: 532.84278

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Descriptors Computed from Structure

Canonical SMILES:

C(CCCCCCCCCCSCCNC(=O)C(=O)NCCS)CCCCCCCCCC(=O)O

Isomeric SMILES

C(CCCCCCCCCCSCCNC(=O)C(=O)NCCS)CCCCCCCCCC(=O)O

InChI

InChI=1S/C27H52N2O4S2/c30-25(31)19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-23-35-24-21-29-27(33)26(32)28-20-22-34/h34H,1-24H2,(H,28,32)(H,29,33)(H,30,31)