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Substance Name: Insulin defalan (bovine) [INN]
RN: 51798-72-2
UNII: VN039425CH
InChIKey: ZEQIAIALXCMLED-OJIKQXHISA-N

Note

  • Phe removed from B-chain of insulin; has no loss of activity.

Molecular Formula

  • C245-H368-N64-O74-S6

Molecular Weight

  • 5586.3722
 
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Names and Synonyms

Results Name

  • Insulin defalan (bovine) [INN]

Name of Substance

  • Insulin (bovine)
  • Insulin defalan (bovine) [INN]
  • Insulin, (B1)-des-phe-

Synonyms

  • EINECS 257-427-2
  • Insulin defalan (bovine)
  • UNII-VN039425CH

Systematic Names

  • Insulin (ox), 1B-de-l-phenylalanine-
  • Insulin, 1B-de-L-phenylalanine-

Registry Numbers

CAS Registry Number

  • 51798-72-2

FDA UNII

  • VN039425CH

System Generated Number

  • 0051798722

Structure Descriptors

InChI

1S/C245H368N64O74S6/c1-29-125(24)197(303-184(324)97-247)241(378)307-196(124(22)23)238(375)278-150(69-76-191(334)335)207(344)272-147(65-72-180(250)320)211(348)298-175-110-388-389-111-176-233(370)296-169(104-311)229(366)284-153(82-116(6)7)214(351)285-159(88-132-47-55-138(314)56-48-132)217(354)273-145(63-70-178(248)318)208(345)280-152(81-115(4)5)212(349)275-149(68-75-190(332)333)210(347)292-165(94-181(251)321)224(361)288-161(90-134-51-59-140(316)60-52-134)220(357)299-174(232(369)294-167(244(382)383)96-183(253)323)109-387-385-107-172(203(340)261-100-185(325)268-144(66-73-188(328)329)206(343)271-142(45-38-78-259-245(255)256)201(338)260-101-186(326)269-157(86-130-40-32-30-33-41-130)216(353)287-158(87-131-42-34-31-35-43-131)219(356)289-162(91-135-53-61-141(317)62-54-135)227(364)308-198(129(28)313)242(379)309-79-39-46-177(309)235(372)276-143(44-36-37-77-246)204(341)267-128(27)243(380)381)301-239(376)194(122(18)19)305-225(362)155(84-118(10)11)282-218(355)160(89-133-49-57-139(315)58-50-133)286-213(350)151(80-114(2)3)279-199(336)126(25)265-205(342)148(67-74-189(330)331)277-237(374)193(121(16)17)304-226(363)156(85-119(12)13)283-222(359)164(93-137-99-258-113-264-137)291-228(365)168(103-310)270-187(327)102-262-202(339)171(106-384-386-108-173(300-234(175)371)231(368)266-127(26)200(337)295-170(105-312)230(367)306-195(123(20)21)240(377)302-176)297-215(352)154(83-117(8)9)281-221(358)163(92-136-98-257-112-263-136)290-209(346)146(64-71-179(249)319)274-223(360)166(95-182(252)322)293-236(373)192(254)120(14)15/h30-35,40-43,47-62,98-99,112-129,142-177,192-198,310-317H,29,36-39,44-46,63-97,100-111,246-247,254H2,1-28H3,(H2,248,318)(H2,249,319)(H2,250,320)(H2,251,321)(H2,252,322)(H2,253,323)(H,257,263)(H,258,264)(H,260,338)(H,261,340)(H,262,339)(H,265,342)(H,266,368)(H,267,341)(H,268,325)(H,269,326)(H,270,327)(H,271,343)(H,272,344)(H,273,354)(H,274,360)(H,275,349)(H,276,372)(H,277,374)(H,278,375)(H,279,336)(H,280,345)(H,281,358)(H,282,355)(H,283,359)(H,284,366)(H,285,351)(H,286,350)(H,287,353)(H,288,361)(H,289,356)(H,290,346)(H,291,365)(H,292,347)(H,293,373)(H,294,369)(H,295,337)(H,296,370)(H,297,352)(H,298,348)(H,299,357)(H,300,371)(H,301,376)(H,302,377)(H,303,324)(H,304,363)(H,305,362)(H,306,367)(H,307,378)(H,308,364)(H,328,329)(H,330,331)(H,332,333)(H,334,335)(H,380,381)(H,382,383)(H4,255,256,259)/t125-,126-,127-,128-,129+,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,156-,157-,158-,159-,160-,161-,162-,163-,164-,165-,166-,167-,168-,169-,170-,171-,172-,173-,174-,175-,176-,177-,192-,193-,194-,195-,196-,197-,198-/m0/s1

InChIKey

ZEQIAIALXCMLED-OJIKQXHISA-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](C)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc3c[nH]cn3)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@@H](N)C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc4c[nH]cn4)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](Cc5ccc(O)cc5)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](Cc6ccc(O)cc6)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](Cc7ccc(O)cc7)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)NCC(=O)N[C@@H](Cc8ccccc8)C(=O)N[C@@H](Cc9ccccc9)C(=O)N[C@@H](Cc%10ccc(O)cc%10)C(=O)N[C@@H]([C@@H](C)O)C(=O)N%11CCC[C@H]%11C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)O)NC1=O)C(C)C