2-azanyl-3-[2,3-bis(oxidanyl)propylsulfanyl]-2-hexadecanoyl-4-oxidanylidene-nonadecanoic acid

Systemtic Name: 2-azanyl-3-[2,3-bis(oxidanyl)propylsulfanyl]-2-hexadecanoyl-4-oxidanylidene-nonadecanoic acid Openeye Name: 2-amino-3-(2,3-dihydroxypropylsulfanyl)-2-hexadecanoyl-4-oxo-nonadecanoic acid CAS Name: 2-amino-3-(2,3-dihydroxypropylthio)-4-oxo-2-(1-oxohexadecyl)nonadecanoic acid IUPAC Name: 2-amino-3-(2,3-dihydroxypropylsulfanyl)-2-hexadecanoyl-4-oxononadecanoic acid Traditional Name: 2-amino-3-(glycerylthio)-2-hexadecanoyl-4-keto-nonadecanoic acid Formula: C38H73NO6S MolecularWeight: 672.05432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)C(C(C(=O)CCCCCCCCCCCCCCC)(C(=O)O)N)SCC(CO)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)C(C(C(=O)CCCCCCCCCCCCCCC)(C(=O)O)N)SCC(CO)O

InChI

InChI=1S/C38H73NO6S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(42)36(46-32-33(41)31-40)38(39,37(44)45)35(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33,36,40-41H,3-32,39H2,1-2H3,(H,44,45)