methyl 1-[(22S)-22-methyl-14,15-disulfooxy-octacosanoyl]piperidine-2-carboxylate

Systemtic Name: methyl 1-[(22S)-22-methyl-14,15-disulfooxy-octacosanoyl]piperidine-2-carboxylate Openeye Name: methyl 1-[(22S)-22-methyl-14,15-disulfooxy-octacosanoyl]piperidine-2-carboxylate CAS Name: 1-[(22S)-22-methyl-1-oxo-14,15-disulfooxyoctacosyl]-2-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(22S)-22-methyl-14,15-disulfooxyoctacosanoyl]piperidine-2-carboxylate Traditional Name: 1-[(22S)-22-methyl-14,15-disulfoxy-octacosanoyl]pipecolinic acid methyl ester Formula: C36H69NO11S2 MolecularWeight: 756.06316

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)CCCCCCC(C(CCCCCCCCCCCCC(=O)N1CCCCC1C(=O)OC)OS(=O)(=O)O)OS(=O)(=O)O

Isomeric SMILES

CCCCCC[C@H](C)CCCCCCC(C(CCCCCCCCCCCCC(=O)N1CCCCC1C(=O)OC)OS(=O)(=O)O)OS(=O)(=O)O

InChI

InChI=1S/C36H69NO11S2/c1-4-5-6-17-24-31(2)25-18-15-16-20-28-34(48-50(43,44)45)33(47-49(40,41)42)27-19-13-11-9-7-8-10-12-14-21-29-35(38)37-30-23-22-26-32(37)36(39)46-3/h31-34H,4-30H2,1-3H3,(H,40,41,42)(H,43,44,45)/t31-,32?,33?,34?/m0/s1