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Substance Name: Insulin, des(hexapeptide)(B25-30)-ala(B23)-
RN: 51798-58-4
InChIKey: IUXFSPRHDYDGQY-DFJUFZPLSA-N

Molecular Formula

  • C221-H334-N58-O68-S6

Molecular Weight

  • 5083.8036
 
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Names and Synonyms

Name of Substance

  • Insulin, des(hexapeptide)(B25-30)-ala(B23)-

Synonyms

  • Des(hexapeptide)(B25-30)-B23-alanine-insulin
  • Deshexapeptide(B25-30)-ala(B23)-insulin
  • Dhex-ala-insulin
  • Insulin, des(hexapeptide)(B25-30)-alanine(B23)-

Systematic Name

  • Insulin (ox), 8A-L-threonine-10A-L-isoleucine-23B-L-alanine-25B-de-L-phenylalanine-26B-de-L-tyrosine-27B-de-L-threonine-28B-de-L-proline-29B-de-L-lysine-30B-de-L-alanine-

Registry Numbers

CAS Registry Number

  • 51798-58-4

System Generated Number

  • 0051798584

Structure Descriptors

InChI

1S/C221H334N58O68S6/c1-28-111(23)176(273-165(293)85-222)217(342)277-175(110(21)22)213(338)249-134(60-67-171(302)303)187(312)244-131(56-63-161(226)289)191(316)268-156-96-351-352-97-157-209(334)265-151(91-281)206(331)255-137(71-103(7)8)194(319)256-141(76-118-42-48-123(284)49-43-118)196(321)245-129(54-61-159(224)287)188(313)251-136(70-102(5)6)192(317)247-133(59-66-170(300)301)190(315)261-146(82-162(227)290)202(327)258-143(78-120-46-52-125(286)53-47-120)198(323)269-155(208(333)264-149(220(346)347)84-164(229)292)95-350-349-94-154(183(308)235-88-166(294)241-128(57-64-168(296)297)186(311)243-127(41-36-68-234-221(230)231)184(309)239-114(26)180(305)263-148(219(344)345)79-117-39-34-31-35-40-117)271-215(340)174(109(19)20)276-203(328)139(73-105(11)12)253-197(322)142(77-119-44-50-124(285)51-45-119)257-193(318)135(69-101(3)4)250-179(304)113(25)240-185(310)132(58-65-169(298)299)248-212(337)173(108(17)18)275-204(329)140(74-106(13)14)254-200(325)145(81-122-87-233-100-238-122)260-205(330)150(90-280)242-167(295)89-236-182(307)153(93-348-353-98-158(270-210(156)335)211(336)279-178(115(27)283)218(343)266-152(92-282)207(332)278-177(112(24)29-2)216(341)272-157)267-195(320)138(72-104(9)10)252-199(324)144(80-121-86-232-99-237-121)259-189(314)130(55-62-160(225)288)246-201(326)147(83-163(228)291)262-214(339)172(107(15)16)274-181(306)126(223)75-116-37-32-30-33-38-116/h30-35,37-40,42-53,86-87,99-115,126-158,172-178,280-286H,28-29,36,41,54-85,88-98,222-223H2,1-27H3,(H2,224,287)(H2,225,288)(H2,226,289)(H2,227,290)(H2,228,291)(H2,229,292)(H,232,237)(H,233,238)(H,235,308)(H,236,307)(H,239,309)(H,240,310)(H,241,294)(H,242,295)(H,243,311)(H,244,312)(H,245,321)(H,246,326)(H,247,317)(H,248,337)(H,249,338)(H,250,304)(H,251,313)(H,252,324)(H,253,322)(H,254,325)(H,255,331)(H,256,319)(H,257,318)(H,258,327)(H,259,314)(H,260,330)(H,261,315)(H,262,339)(H,263,305)(H,264,333)(H,265,334)(H,266,343)(H,267,320)(H,268,316)(H,269,323)(H,270,335)(H,271,340)(H,272,341)(H,273,293)(H,274,306)(H,275,329)(H,276,328)(H,277,342)(H,278,332)(H,279,336)(H,296,297)(H,298,299)(H,300,301)(H,302,303)(H,344,345)(H,346,347)(H4,230,231,234)/t111-,112-,113-,114-,115+,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-,153-,154-,155-,156-,157-,158-,172-,173-,174-,175-,176-,177-,178-/m0/s1

InChIKey

IUXFSPRHDYDGQY-DFJUFZPLSA-N

Smiles

CC[C@H](C)[C@H](NC(=O)CN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@H]1CSSC[C@@H]2NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc4ccccc4)C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc5cnc[nH]5)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc6ccc(O)cc6)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](Cc7ccc(O)cc7)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](Cc8ccc(O)cc8)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC2=O)C(=O)N[C@@H](CC(=O)N)C(=O)O)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc9ccccc9)C(=O)O)NC1=O)[C@@H](C)O)[C@@H](C)CC