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Substance Name: Cholecystokinin 39
RN: 79955-77-4
InChIKey: IVCOLVXXCVGZJW-CCPSMLFMSA-N

Note

  • Contains 39 amino acids; 6 amino acid residues added on to cholecystokinin.

Molecular Formula

  • C200-H315-N61-O61-S4

Molecular Weight

  • 4678.3185
 
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Names and Synonyms

Name of Substance

  • Cholecystokinin 39

Synonym

  • Cck-39

Systematic Name

  • Cholecystokinin-39

Registry Numbers

CAS Registry Number

  • 79955-77-4

System Generated Number

  • 0079955774

Structure Descriptors

InChI

1S/C200H315N61O61S4/c1-18-101(10)157(257-162(284)114(203)78-107-48-52-111(267)53-49-107)192(314)240-124(58-61-148(206)270)170(292)234-122(56-59-146(204)268)166(288)226-104(13)161(283)230-119(43-31-68-219-198(211)212)167(289)231-117(40-26-28-65-201)165(287)227-105(14)195(317)260-71-34-46-144(260)189(311)252-139(92-262)164(286)224-90-150(272)228-116(42-30-67-218-197(209)210)173(295)256-156(100(8)9)191(313)254-142(95-265)185(307)238-127(64-75-325-17)175(297)259-158(102(11)19-2)193(315)239-118(41-27-29-66-202)168(290)246-134(83-149(207)271)181(303)242-129(76-98(4)5)176(298)235-123(57-60-147(205)269)171(293)251-140(93-263)186(308)243-130(77-99(6)7)177(299)250-138(87-155(280)281)196(318)261-72-35-47-145(261)190(312)253-141(94-264)187(309)245-133(82-110-89-217-97-225-110)180(302)233-121(45-33-70-221-200(215)216)174(296)258-159(103(12)20-3)194(316)255-143(96-266)188(310)249-135(84-152(274)275)182(304)232-120(44-32-69-220-199(213)214)169(291)247-137(86-154(278)279)184(306)244-131(80-108-50-54-112(55-51-108)322-326(319,320)321)178(300)236-125(62-73-323-15)163(285)223-91-151(273)229-132(81-109-88-222-115-39-25-24-38-113(109)115)179(301)237-126(63-74-324-16)172(294)248-136(85-153(276)277)183(305)241-128(160(208)282)79-106-36-22-21-23-37-106/h21-25,36-39,48-55,88-89,97-105,114,116-145,156-159,222,262-267H,18-20,26-35,40-47,56-87,90-96,201-203H2,1-17H3,(H2,204,268)(H2,205,269)(H2,206,270)(H2,207,271)(H2,208,282)(H,217,225)(H,223,285)(H,224,286)(H,226,288)(H,227,287)(H,228,272)(H,229,273)(H,230,283)(H,231,289)(H,232,304)(H,233,302)(H,234,292)(H,235,298)(H,236,300)(H,237,301)(H,238,307)(H,239,315)(H,240,314)(H,241,305)(H,242,303)(H,243,308)(H,244,306)(H,245,309)(H,246,290)(H,247,291)(H,248,294)(H,249,310)(H,250,299)(H,251,293)(H,252,311)(H,253,312)(H,254,313)(H,255,316)(H,256,295)(H,257,284)(H,258,296)(H,259,297)(H,274,275)(H,276,277)(H,278,279)(H,280,281)(H4,209,210,218)(H4,211,212,219)(H4,213,214,220)(H4,215,216,221)(H,319,320,321)/t101-,102-,103-,104-,105-,114-,116-,117-,118-,119-,120-,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-,156-,157-,158-,159-/m0/s1

InChIKey

IVCOLVXXCVGZJW-CCPSMLFMSA-N

Smiles

CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)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](C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc4cnc[nH]4)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc5ccc(OS(=O)(=O)O)cc5)C(=O)N[C@@H](CCSC)C(=O)NCC(=O)N[C@@H](Cc6c[nH]c7ccccc67)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc8ccccc8)C(=O)N