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

Systemtic Name: phenyl 3-methyl-5-(octadecylamino)-2,3,4-tris(oxidanyl)-5-oxidanylidene-pentanoate Openeye Name: phenyl 2,3,4-trihydroxy-3-methyl-5-(octadecylamino)-5-oxo-pentanoate CAS Name: 2,3,4-trihydroxy-3-methyl-5-(octadecylamino)-5-oxopentanoic acid phenyl ester IUPAC Name: phenyl 2,3,4-trihydroxy-3-methyl-5-(octadecylamino)-5-oxopentanoate Traditional Name: 2,3,4-trihydroxy-5-keto-3-methyl-5-(stearylamino)valeric acid phenyl ester Formula: C30H51NO6 MolecularWeight: 521.72904

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)C(C(C)(C(C(=O)OC1=CC=CC=C1)O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)C(C(C)(C(C(=O)OC1=CC=CC=C1)O)O)O

InChI

InChI=1S/C30H51NO6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-31-28(34)26(32)30(2,36)27(33)29(35)37-25-22-19-18-20-23-25/h18-20,22-23,26-27,32-33,36H,3-17,21,24H2,1-2H3,(H,31,34)