Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: (Phe(4Br)12)deacetyl-thymosin beta4
RN: 181429-21-0
InChIKey: XNWBDLUMGMAFHT-TYXRNYPASA-N

Molecular Formula

  • C210-H347-Br-N56-O77-S

Molecular Weight

  • 5000.3363
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Results Name

  • (Phe(4Br)12)deacetyl-thymosin beta4

Synonym

  • N-Deacetyl-12-(4-bromo-L-phenylalanine)thymosin beta

Systematic Names

  • Thymosin beta4 (cattle), N-deacetyl-12-(4-bromo-L-phenylalanine)-
  • Thymosin beta4 (ox), N-deacetyl-12-(4-bromo-L-phenylalanine)-

Registry Numbers

CAS Registry Number

  • 181429-21-0

System Generated Number

  • 0181429210

Structure Descriptors

InChI

1S/C210H347BrN56O77S/c1-15-104(7)164(260-189(322)130(62-73-158(290)291)230-170(303)107(10)228-173(306)133(76-89-345-14)244-195(328)139(96-163(300)301)254-199(332)145-47-35-86-265(145)207(340)134(46-25-34-85-220)249-196(329)137(94-161(296)297)250-171(304)113(221)98-268)202(335)245-128(60-71-156(286)287)186(319)232-117(41-20-29-80-215)178(311)252-136(92-111-50-52-112(211)53-51-111)193(326)253-138(95-162(298)299)194(327)236-120(44-23-32-83-218)180(313)257-142(99-269)197(330)238-118(42-21-30-81-216)177(310)251-135(90-102(3)4)192(325)235-115(39-18-27-78-213)174(307)234-121(45-24-33-84-219)188(321)262-166(108(11)272)205(338)248-132(64-75-160(294)295)191(324)263-167(109(12)273)204(337)247-125(56-67-150(224)277)183(316)242-127(59-70-155(284)285)185(318)233-119(43-22-31-82-217)179(312)255-141(93-151(225)278)209(342)267-88-36-48-146(267)200(333)256-140(91-103(5)6)208(341)266-87-37-49-147(266)201(334)258-143(100-270)198(331)237-116(40-19-28-79-214)176(309)243-131(63-74-159(292)293)190(323)264-168(110(13)274)206(339)261-165(105(8)16-2)203(336)246-129(61-72-157(288)289)187(320)240-124(55-66-149(223)276)182(315)241-126(58-69-154(282)283)184(317)231-114(38-17-26-77-212)175(308)239-123(54-65-148(222)275)172(305)227-106(9)169(302)226-97-152(279)229-122(57-68-153(280)281)181(314)259-144(101-271)210(343)344/h50-53,102-110,113-147,164-168,268-274H,15-49,54-101,212-221H2,1-14H3,(H2,222,275)(H2,223,276)(H2,224,277)(H2,225,278)(H,226,302)(H,227,305)(H,228,306)(H,229,279)(H,230,303)(H,231,317)(H,232,319)(H,233,318)(H,234,307)(H,235,325)(H,236,327)(H,237,331)(H,238,330)(H,239,308)(H,240,320)(H,241,315)(H,242,316)(H,243,309)(H,244,328)(H,245,335)(H,246,336)(H,247,337)(H,248,338)(H,249,329)(H,250,304)(H,251,310)(H,252,311)(H,253,326)(H,254,332)(H,255,312)(H,256,333)(H,257,313)(H,258,334)(H,259,314)(H,260,322)(H,261,339)(H,262,321)(H,263,324)(H,264,323)(H,280,281)(H,282,283)(H,284,285)(H,286,287)(H,288,289)(H,290,291)(H,292,293)(H,294,295)(H,296,297)(H,298,299)(H,300,301)(H,343,344)/t104-,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-,143-,144-,145-,146-,147-,164-,165-,166-,167-,168-/m0/s1

InChIKey

XNWBDLUMGMAFHT-TYXRNYPASA-N

Smiles

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)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](N)CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(Br)cc2)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)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)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CO)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)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)O