2-formamido-2-hexyl-4-methyl-3-oxidanyl-3-pentanoyloxy-hexadecanoic acid

Systemtic Name: 2-formamido-2-hexyl-4-methyl-3-oxidanyl-3-pentanoyloxy-hexadecanoic acid Openeye Name: 2-formamido-2-hexyl-3-hydroxy-4-methyl-3-pentanoyloxy-hexadecanoic acid CAS Name: 2-formamido-2-hexyl-3-hydroxy-4-methyl-3-(1-oxopentoxy)hexadecanoic acid IUPAC Name: 2-formamido-2-hexyl-3-hydroxy-4-methyl-3-pentanoyloxyhexadecanoic acid Traditional Name: 2-formamido-2-hexyl-3-hydroxy-4-methyl-3-valeryloxy-palmitic acid Formula: C29H55NO6 MolecularWeight: 513.7501

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(C)C(C(CCCCCC)(C(=O)O)NC=O)(O)OC(=O)CCCC

Isomeric SMILES

CCCCCCCCCCCCC(C)C(C(CCCCCC)(C(=O)O)NC=O)(O)OC(=O)CCCC

InChI

InChI=1S/C29H55NO6/c1-5-8-11-13-14-15-16-17-18-19-21-25(4)29(35,36-26(32)22-10-7-3)28(27(33)34,30-24-31)23-20-12-9-6-2/h24-25,35H,5-23H2,1-4H3,(H,30,31)(H,33,34)