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Substance Name: Thymosin beta(9)
RN: 81775-04-4
InChIKey: YIRMFCGQZJVDNO-FFXVZKRQSA-N

Molecular Formula

  • C204-H341-N55-O72

Molecular Weight

  • 4716.2509
 
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Names and Synonyms

Name of Substance

  • Thymosin beta(9)

Synonym

  • Thymosin beta9

Systematic Name

  • Thymosin beta4 (ox), 1-(N-acetyl-L-alanine)-6-L-leucine-7-glycine-10-L-asparagine-11-L-serine-15-L-alanine-27-L-threonine-30-L-threonine-41-L-lysine-42-de-L-glutomic acid-43-de-L-serine

Registry Numbers

CAS Registry Number

  • 81775-04-4

System Generated Number

  • 0081775044

Structure Descriptors

InChI

1S/C204H341N55O72/c1-20-101(9)158(251-182(308)120(61-70-149(273)274)223-148(272)96-219-168(294)131(87-98(3)4)242-190(316)138(95-157(289)290)247-193(319)141-56-43-85-258(141)202(328)129(54-32-41-83-212)239-189(315)136(93-155(285)286)241-165(291)103(11)220-111(19)266)196(322)248-134(91-146(217)270)187(313)250-140(97-260)192(318)244-133(90-112-45-23-22-24-46-112)186(312)246-137(94-156(287)288)188(314)228-113(47-25-34-76-205)169(295)221-104(12)166(292)224-114(48-26-35-77-206)174(300)243-132(88-99(5)6)185(311)229-116(50-28-37-79-208)171(297)227-119(53-31-40-82-211)181(307)253-160(106(14)261)198(324)238-128(66-75-154(283)284)184(310)254-161(107(15)262)197(323)237-123(60-69-145(216)269)177(303)233-125(63-72-151(277)278)179(305)226-117(51-29-38-80-209)175(301)245-135(92-147(218)271)191(317)256-162(108(16)263)200(326)249-139(89-100(7)8)203(329)259-86-44-57-142(259)194(320)257-163(109(17)264)199(325)235-118(52-30-39-81-210)173(299)234-127(65-74-153(281)282)183(309)255-164(110(18)265)201(327)252-159(102(10)21-2)195(321)236-126(64-73-152(279)280)180(306)231-122(59-68-144(215)268)176(302)232-124(62-71-150(275)276)178(304)225-115(49-27-36-78-207)172(298)230-121(58-67-143(214)267)170(296)222-105(13)167(293)240-130(204(330)331)55-33-42-84-213/h22-24,45-46,98-110,113-142,158-164,260-265H,20-21,25-44,47-97,205-213H2,1-19H3,(H2,214,267)(H2,215,268)(H2,216,269)(H2,217,270)(H2,218,271)(H,219,294)(H,220,266)(H,221,295)(H,222,296)(H,223,272)(H,224,292)(H,225,304)(H,226,305)(H,227,297)(H,228,314)(H,229,311)(H,230,298)(H,231,306)(H,232,302)(H,233,303)(H,234,299)(H,235,325)(H,236,321)(H,237,323)(H,238,324)(H,239,315)(H,240,293)(H,241,291)(H,242,316)(H,243,300)(H,244,318)(H,245,301)(H,246,312)(H,247,319)(H,248,322)(H,249,326)(H,250,313)(H,251,308)(H,252,327)(H,253,307)(H,254,310)(H,255,309)(H,256,317)(H,257,320)(H,273,274)(H,275,276)(H,277,278)(H,279,280)(H,281,282)(H,283,284)(H,285,286)(H,287,288)(H,289,290)(H,330,331)/t101-,102-,103-,104-,105-,106+,107+,108+,109+,110+,113-,114-,115-,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-,158-,159-,160-,161-,162-,163-,164-/m0/s1

InChIKey

YIRMFCGQZJVDNO-FFXVZKRQSA-N

Smiles

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)O