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Substance Name: Insulin, desoctapeptide-
RN: 39416-70-1
InChIKey: SLLXGRLAOMGDEL-DBLCGGRISA-N

Molecular Formula

  • C209-H320-N56-O66-S6

Molecular Weight

  • 4865.549
 
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Names and Synonyms

Name of Substance

  • Insulin, desoctapeptide-

Synonyms

  • Desoctapeptide (B23-30) insulin
  • Desoctapeptide insulin

Systematic Name

  • Insulin (ox), 8(A)-L-threonine-10(A)-L-isoleucine-23(B)-deglycine-24(B)-de-L-phenylalanine-25(B)-de-L-phenylalanine-26(B)-de-L-tyrosine-27(B)-de-L-threonine-28(B)-de-L-proline-29(B)-de-L-lysine-30(B)-de-L-alanine-

Registry Numbers

CAS Registry Number

  • 39416-70-1

System Generated Number

  • 0039416701

Structure Descriptors

InChI

1S/C209H320N56O66S6/c1-27-104(23)166(259-155(279)78-210)205(326)263-165(103(21)22)201(322)235-124(54-61-161(288)289)175(296)230-121(50-57-151(214)275)179(300)254-146-89-335-336-90-147-197(318)251-141(84-267)194(315)242-128(65-96(7)8)182(303)243-132(70-109-36-42-114(270)43-37-109)184(305)231-119(48-55-149(212)273)176(297)238-127(64-95(5)6)180(301)233-123(53-60-160(286)287)178(299)248-137(75-152(215)276)190(311)245-134(72-111-40-46-116(272)47-41-111)186(307)255-145(196(317)250-139(208(330)331)77-154(217)278)88-334-333-87-144(172(293)223-81-156(280)228-118(51-58-158(282)283)174(295)236-125(207(328)329)35-32-62-222-209(218)219)257-203(324)164(102(19)20)262-191(312)130(67-98(11)12)240-185(306)133(71-110-38-44-115(271)45-39-110)244-181(302)126(63-94(3)4)237-169(290)106(25)227-173(294)122(52-59-159(284)285)234-200(321)163(101(17)18)261-192(313)131(68-99(13)14)241-188(309)136(74-113-80-221-93-226-113)247-193(314)140(83-266)229-157(281)82-224-171(292)143(86-332-337-91-148(256-198(146)319)199(320)265-168(107(26)269)206(327)252-142(85-268)195(316)264-167(105(24)28-2)204(325)258-147)253-183(304)129(66-97(9)10)239-187(308)135(73-112-79-220-92-225-112)246-177(298)120(49-56-150(213)274)232-189(310)138(76-153(216)277)249-202(323)162(100(15)16)260-170(291)117(211)69-108-33-30-29-31-34-108/h29-31,33-34,36-47,79-80,92-107,117-148,162-168,266-272H,27-28,32,35,48-78,81-91,210-211H2,1-26H3,(H2,212,273)(H2,213,274)(H2,214,275)(H2,215,276)(H2,216,277)(H2,217,278)(H,220,225)(H,221,226)(H,223,293)(H,224,292)(H,227,294)(H,228,280)(H,229,281)(H,230,296)(H,231,305)(H,232,310)(H,233,301)(H,234,321)(H,235,322)(H,236,295)(H,237,290)(H,238,297)(H,239,308)(H,240,306)(H,241,309)(H,242,315)(H,243,303)(H,244,302)(H,245,311)(H,246,298)(H,247,314)(H,248,299)(H,249,323)(H,250,317)(H,251,318)(H,252,327)(H,253,304)(H,254,300)(H,255,307)(H,256,319)(H,257,324)(H,258,325)(H,259,279)(H,260,291)(H,261,313)(H,262,312)(H,263,326)(H,264,316)(H,265,320)(H,282,283)(H,284,285)(H,286,287)(H,288,289)(H,328,329)(H,330,331)(H4,218,219,222)/t104-,105-,106-,107+,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-,148-,162-,163-,164-,165-,166-,167-,168-/m0/s1

InChIKey

SLLXGRLAOMGDEL-DBLCGGRISA-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)O)NC1=O)[C@@H](C)O)[C@@H](C)CC