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Substance Name: Dumorelin [INN]
RN: 105953-59-1
UNII: G79T5ITM5W
InChIKey: IVGWQGJDNNGQTP-FWWAFOOOSA-N

Molecular Formula

  • C218-H362-N72-O68

Molecular Weight

  • 5079.69
 
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Names and Synonyms

Name of Substance

  • Dumorelin [INN]
  • Somatotropin releasing hormone (1-45), 27-leu-45-gly-

Synonyms

  • 27-L-Leucine-44a-glycine growth hormone-releasing factor (human)
  • Dumorelin
  • Dumorelina
  • Dumorelina [INN-Spanish]
  • Dumoreline
  • Dumoreline [INN-French]
  • Dumorelinum
  • Dumorelinum [INN-Latin]
  • UNII-G79T5ITM5W

Systematic Name

  • 27-L-Leucine-44a-glycinegrowth hormone-releasing factor (human)

Registry Numbers

CAS Registry Number

  • 105953-59-1

FDA UNII

  • G79T5ITM5W

System Generated Number

  • 0105953591

Structure Descriptors

InChI

1S/C218H362N72O68/c1-25-108(17)169(288-176(322)114(23)254-195(341)147(91-165(312)313)271-175(321)111(20)252-177(323)121(221)86-117-50-54-119(296)55-51-117)210(356)281-144(87-116-40-28-27-29-41-116)203(349)290-171(115(24)295)212(358)282-146(90-159(228)304)202(348)286-152(100-294)207(353)276-143(88-118-52-56-120(297)57-53-118)200(346)264-128(48-38-78-245-217(237)238)184(330)263-124(43-31-33-73-220)194(340)287-168(107(15)16)209(355)279-138(81-102(5)6)180(326)249-95-162(307)256-131(59-66-154(223)299)188(334)274-141(84-105(11)12)198(344)284-149(97-291)205(351)255-113(22)174(320)259-126(46-36-76-243-215(233)234)183(329)262-123(42-30-32-72-219)186(332)273-140(83-104(9)10)197(343)275-139(82-103(7)8)196(342)269-135(62-69-157(226)302)193(339)278-148(92-166(314)315)204(350)289-170(109(18)26-2)211(357)280-142(85-106(13)14)199(345)285-150(98-292)206(352)265-129(49-39-79-246-218(239)240)185(331)267-133(60-67-155(224)300)190(336)266-130(58-65-153(222)298)179(325)248-94-161(306)257-132(63-70-163(308)309)189(335)283-151(99-293)208(354)277-145(89-158(227)303)201(347)270-134(61-68-156(225)301)191(337)268-136(64-71-164(310)311)192(338)261-122(44-34-74-241-213(229)230)178(324)247-93-160(305)251-110(19)172(318)258-125(45-35-75-242-214(231)232)182(328)253-112(21)173(319)260-127(47-37-77-244-216(235)236)187(333)272-137(80-101(3)4)181(327)250-96-167(316)317/h27-29,40-41,50-57,101-115,121-152,168-171,291-297H,25-26,30-39,42-49,58-100,219-221H2,1-24H3,(H2,222,298)(H2,223,299)(H2,224,300)(H2,225,301)(H2,226,302)(H2,227,303)(H2,228,304)(H,247,324)(H,248,325)(H,249,326)(H,250,327)(H,251,305)(H,252,323)(H,253,328)(H,254,341)(H,255,351)(H,256,307)(H,257,306)(H,258,318)(H,259,320)(H,260,319)(H,261,338)(H,262,329)(H,263,330)(H,264,346)(H,265,352)(H,266,336)(H,267,331)(H,268,337)(H,269,342)(H,270,347)(H,271,321)(H,272,333)(H,273,332)(H,274,334)(H,275,343)(H,276,353)(H,277,354)(H,278,339)(H,279,355)(H,280,357)(H,281,356)(H,282,358)(H,283,335)(H,284,344)(H,285,345)(H,286,348)(H,287,340)(H,288,322)(H,289,350)(H,290,349)(H,308,309)(H,310,311)(H,312,313)(H,314,315)(H,316,317)(H4,229,230,241)(H4,231,232,242)(H4,233,234,243)(H4,235,236,244)(H4,237,238,245)(H4,239,240,246)/t108-,109-,110-,111-,112-,113-,114-,115+,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,168-,169-,170-,171-/m0/s1

InChIKey

IVGWQGJDNNGQTP-FWWAFOOOSA-N

Smiles

N(C([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC(CNC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC(CNC([C@@H](NC([C@@H](NC([C@@H](NC([C@H](CCCNC(N)=N)NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC(=O)[C@H](C)NC([C@@H](NC([C@@H](NC([C@H](Cc1ccc(cc1)O)N)=O)C)=O)CC(=O)O)=O)[C@@H](C)CC)=O)Cc1ccccc1)=O)[C@H](O)C)=O)CC(=O)N)=O)CO)=O)Cc1ccc(cc1)O)=O)=O)CCCCN)=O)C(C)C)=O)CC(C)C)=O)=O)CCC(=O)N)=O)CC(C)C)=O)CO)=O)C)=O)CCCNC(N)=N)=O)CCCCN)=O)CC(C)C)=O)CC(C)C)=O)CCC(=O)N)=O)CC(=O)O)=O)[C@@H](C)CC)=O)CC(C)C)=O)CO)=O)CCCNC(N)=N)=O)CCC(=O)N)=O)CCC(=O)N)=O)=O)CCC(=O)O)=O)CO)=O)CC(=O)N)=O)CCC(=O)N)=O)CCC(=O)O)=O)CCCNC(N)=N)=O)CC(N[C@H](C(N[C@H](C(N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(NCC(=O)O)=O)CC(C)C)CCCNC(N)=N)C)=O)CCCNC(N)=N)=O)C)=O