trichloromethyl 3-methyl-5-(octadecylamino)-2,3,4-tris(oxidanyl)-5-oxidanylidene-pentanoate

Systemtic Name: trichloromethyl 3-methyl-5-(octadecylamino)-2,3,4-tris(oxidanyl)-5-oxidanylidene-pentanoate Openeye Name: trichloromethyl 2,3,4-trihydroxy-3-methyl-5-(octadecylamino)-5-oxo-pentanoate CAS Name: 2,3,4-trihydroxy-3-methyl-5-(octadecylamino)-5-oxopentanoic acid trichloromethyl ester IUPAC Name: trichloromethyl 2,3,4-trihydroxy-3-methyl-5-(octadecylamino)-5-oxopentanoate Traditional Name: 2,3,4-trihydroxy-5-keto-3-methyl-5-(stearylamino)valeric acid trichloromethyl ester Formula: C25H46Cl3NO6 MolecularWeight: 562.99484

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)C(C(C)(C(C(=O)OC(Cl)(Cl)Cl)O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)C(C(C)(C(C(=O)OC(Cl)(Cl)Cl)O)O)O

InChI

InChI=1S/C25H46Cl3NO6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-29-22(32)20(30)24(2,34)21(31)23(33)35-25(26,27)28/h20-21,30-31,34H,3-19H2,1-2H3,(H,29,32)