locustapyrokinin

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InChI :InChI=1/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
Std.InChI: 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
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InChIKey :YDWOSJDFVOFKIC-ICOVXKSRBL
Std.InChIKey: YDWOSJDFVOFKIC-ICOVXKSRSA-N
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SMILES :[H]/N=C(\N)/NCCC[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]4CCCN4C(=O)[C@H](Cc5c[nH]c6c5cccc6)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]7CCC(=O)N7
Molar Refractivity :465.13 ± 0.5 cm3 (est)
Parachor :3504.6 ± 8.0 cm3 (est)
Index of Refraction :1.700 ± 0.05 (est)
Surface Tension :72.0 ± 7.0 dyne/cm (est)
Density :1.56 ± 0.1 g/cm3 (est)
Polarizability :184.39 ± 0.5 10-24cm3 (est)