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Substance Name: Insulin, des-ala-
RN: 52499-36-2
InChIKey: BZCVUUOCIRSZBE-WGTBXUJISA-N

Molecular Formula

  • C251-H372-N64-O74-S6

Molecular Weight

  • 5662.4698
 
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Names and Synonyms

Name of Substance

  • Insulin, des-ala-

Synonyms

  • Des-ala B30 insulin
  • Des-ala-insulin
  • Desalanine insulin
  • Insulin, de-alanine-
  • Insulin, desalanine-

Systematic Name

  • Insulin (ox), 30B-de-L-alanine-

Registry Numbers

CAS Registry Number

  • 52499-36-2

System Generated Number

  • 0052499362

Structure Descriptors

InChI

1S/C251H372N64O74S6/c1-28-130(24)203(308-190(330)102-253)247(384)313-202(129(22)23)243(380)282-155(73-80-197(340)341)213(350)277-152(69-76-186(257)326)217(354)303-181-115-394-395-116-182-239(376)301-175(109-317)235(372)289-159(86-121(6)7)220(357)290-165(93-137-51-59-143(320)60-52-137)223(360)278-150(67-74-184(255)324)214(351)285-158(85-120(4)5)218(355)280-154(72-79-196(338)339)216(353)297-171(99-187(258)327)230(367)293-167(95-139-55-63-145(322)64-56-139)226(363)304-180(238(375)299-173(250(388)389)101-189(260)329)114-393-391-112-178(210(347)267-105-191(331)273-149(70-77-194(334)335)212(349)276-148(49-40-82-265-251(261)262)208(345)266-106-192(332)274-163(91-135-44-34-30-35-45-135)222(359)292-164(92-136-46-36-31-37-47-136)225(362)294-168(96-140-57-65-146(323)66-58-140)233(370)314-204(133(27)319)248(385)315-83-41-50-183(315)241(378)283-156(249(386)387)48-38-39-81-252)306-245(382)200(127(18)19)311-231(368)161(88-123(10)11)287-224(361)166(94-138-53-61-144(321)62-54-138)291-219(356)157(84-119(2)3)284-205(342)131(25)271-211(348)153(71-78-195(336)337)281-242(379)199(126(16)17)310-232(369)162(89-124(12)13)288-228(365)170(98-142-104-264-118-270-142)296-234(371)174(108-316)275-193(333)107-268-209(346)177(111-390-392-113-179(305-240(181)377)237(374)272-132(26)206(343)300-176(110-318)236(373)312-201(128(20)21)246(383)307-182)302-221(358)160(87-122(8)9)286-227(364)169(97-141-103-263-117-269-141)295-215(352)151(68-75-185(256)325)279-229(366)172(100-188(259)328)298-244(381)198(125(14)15)309-207(344)147(254)90-134-42-32-29-33-43-134/h29-37,42-47,51-66,103-104,117-133,147-183,198-204,316-323H,28,38-41,48-50,67-102,105-116,252-254H2,1-27H3,(H2,255,324)(H2,256,325)(H2,257,326)(H2,258,327)(H2,259,328)(H2,260,329)(H,263,269)(H,264,270)(H,266,345)(H,267,347)(H,268,346)(H,271,348)(H,272,374)(H,273,331)(H,274,332)(H,275,333)(H,276,349)(H,277,350)(H,278,360)(H,279,366)(H,280,355)(H,281,379)(H,282,380)(H,283,378)(H,284,342)(H,285,351)(H,286,364)(H,287,361)(H,288,365)(H,289,372)(H,290,357)(H,291,356)(H,292,359)(H,293,367)(H,294,362)(H,295,352)(H,296,371)(H,297,353)(H,298,381)(H,299,375)(H,300,343)(H,301,376)(H,302,358)(H,303,354)(H,304,363)(H,305,377)(H,306,382)(H,307,383)(H,308,330)(H,309,344)(H,310,369)(H,311,368)(H,312,373)(H,313,384)(H,314,370)(H,334,335)(H,336,337)(H,338,339)(H,340,341)(H,386,387)(H,388,389)(H4,261,262,265)/t130-,131-,132-,133+,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-,178-,179-,180-,181-,182-,183-,198-,199-,200-,201-,202-,203-,204-/m0/s1

InChIKey

BZCVUUOCIRSZBE-WGTBXUJISA-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](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)NCC(=O)N[C@@H](Cc9ccccc9)C(=O)N[C@@H](Cc%10ccccc%10)C(=O)N[C@@H](Cc%11ccc(O)cc%11)C(=O)N[C@@H]([C@@H](C)O)C(=O)N%12CCC[C@H]%12C(=O)N[C@@H](CCCCN)C(=O)O)NC1=O)C(C)C