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Substance Name: 1-40-Somatoliberin (human pancreatic islet) 40
RN: 84069-10-3
InChIKey: NQSZQGPNEIAFND-HZHHQLMMSA-N

Molecular Formula

  • C194-H317-N61-O63-S

Molecular Weight

  • 4544.0683
 
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Names and Synonyms

  • 1-40-Somatoliberin (human pancreatic islet) 40

Registry Numbers

CAS Registry Number

  • 84069-10-3

System Generated Number

  • 0084069103

Structure Descriptors

InChI

1S/C194H317N61O63S/c1-21-95(13)151(253-156(283)99(17)222-173(300)130(81-148(277)278)238-155(282)97(15)221-157(284)107(197)76-103-42-46-105(261)47-43-103)188(315)246-127(77-102-34-24-23-25-35-102)180(307)255-153(101(19)260)189(316)247-129(80-142(204)269)179(306)251-135(89-259)184(311)242-126(78-104-44-48-106(262)49-45-104)177(304)230-112(40-32-69-215-193(209)210)162(289)229-110(37-27-29-66-196)172(299)252-150(94(11)12)186(313)245-122(72-90(3)4)160(287)219-85-145(272)224-115(51-58-137(199)264)165(292)240-125(75-93(9)10)176(303)250-132(86-256)182(309)223-98(16)154(281)226-111(39-31-68-214-192(207)208)161(288)228-109(36-26-28-65-195)164(291)239-124(74-92(7)8)175(302)241-123(73-91(5)6)174(301)235-119(54-61-140(202)267)170(297)244-131(82-149(279)280)181(308)254-152(96(14)22-2)187(314)237-121(64-71-319-20)171(298)249-133(87-257)183(310)231-113(41-33-70-216-194(211)212)163(290)233-117(52-59-138(200)265)167(294)232-114(50-57-136(198)263)159(286)218-84-144(271)225-116(55-62-146(273)274)166(293)248-134(88-258)185(312)243-128(79-141(203)268)178(305)236-118(53-60-139(201)266)168(295)234-120(56-63-147(275)276)169(296)227-108(38-30-67-213-191(205)206)158(285)217-83-143(270)220-100(18)190(317)318/h23-25,34-35,42-49,90-101,107-135,150-153,256-262H,21-22,26-33,36-41,50-89,195-197H2,1-20H3,(H2,198,263)(H2,199,264)(H2,200,265)(H2,201,266)(H2,202,267)(H2,203,268)(H2,204,269)(H,217,285)(H,218,286)(H,219,287)(H,220,270)(H,221,284)(H,222,300)(H,223,309)(H,224,272)(H,225,271)(H,226,281)(H,227,296)(H,228,288)(H,229,289)(H,230,304)(H,231,310)(H,232,294)(H,233,290)(H,234,295)(H,235,301)(H,236,305)(H,237,314)(H,238,282)(H,239,291)(H,240,292)(H,241,302)(H,242,311)(H,243,312)(H,244,297)(H,245,313)(H,246,315)(H,247,316)(H,248,293)(H,249,298)(H,250,303)(H,251,306)(H,252,299)(H,253,283)(H,254,308)(H,255,307)(H,273,274)(H,275,276)(H,277,278)(H,279,280)(H,317,318)(H4,205,206,213)(H4,207,208,214)(H4,209,210,215)(H4,211,212,216)/t95-,96-,97-,98-,99-,100-,101+,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-,133-,134-,135-,150-,151-,152-,153-/m0/s1

InChIKey

NQSZQGPNEIAFND-HZHHQLMMSA-N

Smiles

CC[C@H](C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc3ccc(cc3)O)N