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Substance Name: Insulin, single chain des-(B30)-
RN: 39416-73-4
InChIKey: KLLRRCNOCWDFMV-SEZFUXCESA-N

Molecular Formula

  • C253-H376-N64-O75-S6

Molecular Weight

  • 5706.5224
 
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Names and Synonyms

Name of Substance

  • Insulin, single chain des-(B30)-

Synonyms

  • Sci des-(B30)
  • Single chain des-B30-insulin

Systematic Name

  • Insulin (ox), 8A-L-threonine-10A-L-isoleucine-30B-de-L-alanine-

Registry Numbers

CAS Registry Number

  • 39416-73-4

System Generated Number

  • 0039416734

Structure Descriptors

InChI

1S/C253H376N64O75S6/c1-28-130(23)203(309-191(333)103-255)248(386)313-202(129(21)22)244(382)283-156(74-81-198(343)344)214(352)278-153(70-77-187(259)329)218(356)304-181-115-396-397-116-182-239(377)301-176(110-319)236(374)290-160(87-122(7)8)221(359)291-166(94-138-52-60-144(323)61-53-138)224(362)279-151(68-75-185(257)327)215(353)286-159(86-121(5)6)219(357)281-155(73-80-197(341)342)217(355)298-172(100-188(260)330)231(369)294-168(96-140-56-64-146(325)65-57-140)227(365)305-180(238(376)300-174(252(391)392)102-190(262)332)114-395-394-113-179(211(349)269-106-192(334)274-150(71-78-195(337)338)213(351)277-149(50-41-83-267-253(263)264)209(347)268-107-193(335)275-164(92-136-45-35-31-36-46-136)223(361)293-165(93-137-47-37-32-38-48-137)226(364)295-169(97-141-58-66-147(326)67-59-141)234(372)316-206(134(27)322)250(388)317-84-42-51-184(317)242(380)284-157(251(389)390)49-39-40-82-254)307-246(384)201(128(19)20)312-232(370)162(89-124(11)12)288-225(363)167(95-139-54-62-145(324)63-55-139)292-220(358)158(85-120(3)4)285-207(345)132(25)273-212(350)154(72-79-196(339)340)282-243(381)200(127(17)18)311-233(371)163(90-125(13)14)289-229(367)171(99-143-105-266-119-272-143)297-235(373)175(109-318)276-194(336)108-270-210(348)178(112-393-398-117-183(306-240(181)378)241(379)315-205(133(26)321)249(387)302-177(111-320)237(375)314-204(131(24)29-2)247(385)308-182)303-222(360)161(88-123(9)10)287-228(366)170(98-142-104-265-118-271-142)296-216(354)152(69-76-186(258)328)280-230(368)173(101-189(261)331)299-245(383)199(126(15)16)310-208(346)148(256)91-135-43-33-30-34-44-135/h30-38,43-48,52-67,104-105,118-134,148-184,199-206,318-326H,28-29,39-42,49-51,68-103,106-117,254-256H2,1-27H3,(H2,257,327)(H2,258,328)(H2,259,329)(H2,260,330)(H2,261,331)(H2,262,332)(H,265,271)(H,266,272)(H,268,347)(H,269,349)(H,270,348)(H,273,350)(H,274,334)(H,275,335)(H,276,336)(H,277,351)(H,278,352)(H,279,362)(H,280,368)(H,281,357)(H,282,381)(H,283,382)(H,284,380)(H,285,345)(H,286,353)(H,287,366)(H,288,363)(H,289,367)(H,290,374)(H,291,359)(H,292,358)(H,293,361)(H,294,369)(H,295,364)(H,296,354)(H,297,373)(H,298,355)(H,299,383)(H,300,376)(H,301,377)(H,302,387)(H,303,360)(H,304,356)(H,305,365)(H,306,378)(H,307,384)(H,308,385)(H,309,333)(H,310,346)(H,311,371)(H,312,370)(H,313,386)(H,314,375)(H,315,379)(H,316,372)(H,337,338)(H,339,340)(H,341,342)(H,343,344)(H,389,390)(H,391,392)(H4,263,264,267)/t130-,131-,132-,133+,134+,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-,184-,199-,200-,201-,202-,203-,204-,205-,206-/m0/s1

InChIKey

KLLRRCNOCWDFMV-SEZFUXCESA-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)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@@H](C)O)[C@@H](C)CC