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Substance Name: Exendin 3
RN: 130391-54-7
InChIKey: LMHMJYMCGJNXRS-IEQINRSDSA-N

Note

  • From the gila monster lizard (Heloderma horridum).

Molecular Weight

  • 4202.6068
 
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Names and Synonyms

Name of Substance

  • Exendin 3

Synonym

  • Exendin-3

Systematic Name

  • Exendin 3

Registry Numbers

CAS Registry Number

  • 130391-54-7

System Generated Number

  • 0130391547

Structure Descriptors

InChI

1S/C184H282N50O61S/c1-16-93(10)146(178(290)211-112(51-56-142(255)256)162(274)216-119(71-100-76-195-104-39-24-23-38-102(100)104)167(279)213-114(66-89(2)3)164(276)203-106(41-26-28-59-186)157(269)217-120(73-134(189)244)152(264)197-78-135(245)196-81-138(248)231-61-30-43-129(231)175(287)225-127(86-239)174(286)223-124(83-236)154(266)199-79-136(246)201-95(12)181(293)233-63-32-45-131(233)183(295)234-64-33-46-132(234)182(294)232-62-31-44-130(232)176(288)221-123(82-235)149(190)261)229-169(281)117(69-98-34-19-17-20-35-98)215-165(277)115(67-90(4)5)212-158(270)107(42-29-60-194-184(191)192)210-177(289)145(92(8)9)228-150(262)94(11)202-155(267)109(48-53-139(249)250)206-160(272)110(49-54-140(251)252)207-161(273)111(50-55-141(253)254)208-163(275)113(57-65-296-15)209-159(271)108(47-52-133(188)243)205-156(268)105(40-25-27-58-185)204-171(283)126(85-238)224-166(278)116(68-91(6)7)214-168(280)122(75-144(259)260)219-173(285)128(87-240)226-180(292)148(97(14)242)230-170(282)118(70-99-36-21-18-22-37-99)220-179(291)147(96(13)241)227-137(247)80-198-153(265)121(74-143(257)258)218-172(284)125(84-237)222-151(263)103(187)72-101-77-193-88-200-101/h17-24,34-39,76-77,88-97,103,105-132,145-148,195,235-242H,16,25-33,40-75,78-87,185-187H2,1-15H3,(H2,188,243)(H2,189,244)(H2,190,261)(H,193,200)(H,196,245)(H,197,264)(H,198,265)(H,199,266)(H,201,246)(H,202,267)(H,203,276)(H,204,283)(H,205,268)(H,206,272)(H,207,273)(H,208,275)(H,209,271)(H,210,289)(H,211,290)(H,212,270)(H,213,279)(H,214,280)(H,215,277)(H,216,274)(H,217,269)(H,218,284)(H,219,285)(H,220,291)(H,221,288)(H,222,263)(H,223,286)(H,224,278)(H,225,287)(H,226,292)(H,227,247)(H,228,262)(H,229,281)(H,230,282)(H,249,250)(H,251,252)(H,253,254)(H,255,256)(H,257,258)(H,259,260)(H4,191,192,194)/t93-,94-,95-,96+,97+,103-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,145-,146-,147-,148-/m0/s1

InChIKey

LMHMJYMCGJNXRS-IEQINRSDSA-N

Smiles

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc3cnc[nH]3)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)NCC(=O)NCC(=O)N6CCC[C@H]6C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N7CCC[C@H]7C(=O)N8CCC[C@H]8C(=O)N9CCC[C@H]9C(=O)N[C@@H](CO)C(=O)N