(Z)-Pentacos-8-En-4-Ynoic Acid (1R,3S,7R)-7-Hydroxy-8-(2-Hydroxysulfanyl-Ethylcarbamoyl)-1,7-Dimethyl-3-(2-Oxo-Propyl)-Octyl Ester
[CAS# 185138-92-5]

Identification

• Name: (Z)-Pentacos-8-En-4-Ynoic Acid (1R,3S,7R)-7-Hydroxy-8-(2-Hydroxysulfanyl-Ethylcarbamoyl)-1,7-Dimethyl-3-(2-Oxo-Propyl)-Octyl Ester
• Synonyms: Aids-085218; Aids085218
• Molecular Formula: C₄₁H₇₃NO₈S
• Molecular Weight: 740.09
• CAS Registry Number: 185138-92-5
• SMILES: [C@H](CCC[C@@](CC(NCC[S](O)(=O)=O)=O)(C)O)(C[C@H](OC(CCC#CCC\C=C/CCCCCCCCCCCCCCCC)=O)C)CC(C)=O
• InChI: 1S/C41H73NO8S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-29-40(45)50-37(3)34-38(33-36(2)43)28-27-30-41(4,46)35-39(44)42-31-32-51(47,48)49/h20-21,37-38,46H,5-19,22-23,26-35H2,1-4H3,(H,42,44)(H,47,48,49)/b21-20-/t37-,38-,41-/m1/s1
• InChIKey: CMSJSKNIYMABOB-LIYMKSMNSA-N