Locustapyrokinin
[CAS# 132293-87-9]

Identification

• Name: Locustapyrokinin
• Molecular Formula: C₈₅H₁₂₁N₂₃O₂₆
• Molecular Weight: 1881.03
• CAS Registry Number: 132293-87-9
• SMILES: [C@H](C(=O)N)(NC([C@@H](NC([C@H]1N(CCC1)C([C@@H](NC([C@@H](NC([C@H]2N(CCC2)C([C@@H](NC([C@@H](NC([C@H]3N(CCC3)C([C@@H](NC([C@@H](NC([C@@H](NC(CNC([C@@H](NC([C@@H](NC([C@H]4NC(CC4)=O)=O)CC(=O)O)=O)CO)=O)=O)CC(=O)O)=O)CCC(=O)O)=O)CC5=C[NH]C6=CC=CC=C56)=O)=O)CCC(=O)N)=O)CCC(=O)N)=O)=O)CC7=CC=CC=C7)=O)C(C)C)=O)=O)CCCNC(=N)N)=O)CC(C)C
• InChI: 1S/C85H121N23O26/c1-42(2)34-53(70(88)120)100-72(122)48(18-10-30-91-85(89)90)97-80(130)61-21-13-33-108(61)84(134)69(43(3)4)105-78(128)54(35-44-14-6-5-7-15-44)102-81(131)60-20-11-31-106(60)82(132)52(23-27-63(87)111)99-74(124)50(22-26-62(86)110)98-79(129)59-19-12-32-107(59)83(133)57(36-45-39-92-47-17-9-8-16-46(45)47)103-75(125)51(25-29-66(114)115)96-76(126)55(37-67(116)117)95-65(113)40-93-71(121)58(41-109)104-77(127)56(38-68(118)119)101-73(123)49-24-28-64(112)94-49/h5-9,14-17,39,42-43,48-61,69,92,109H,10-13,18-38,40-41H2,1-4H3,(H2,86,110)(H2,87,111)(H2,88,120)(H,93,121)(H,94,112)(H,95,113)(H,96,126)(H,97,130)(H,98,129)(H,99,124)(H,100,122)(H,101,123)(H,102,131)(H,103,125)(H,104,127)(H,105,128)(H,114,115)(H,116,117)(H,118,119)(H4,89,90,91)/t48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,69-/m0/s1
• InChIKey: YDWOSJDFVOFKIC-ICOVXKSRSA-N

Properties

• Density: 1.56g/cm³ (Cal.)