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Substance Name: Insulin, trp(A1)-
RN: 84134-95-2
InChIKey: AINVSKCXVMCXDV-MGBHVMTFSA-N

Molecular Formula

  • C263-H384-N66-O75-S6

Molecular Weight

  • 5862.7096
 
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Names and Synonyms

Name of Substance

  • Insulin, trp(A1)-

Synonyms

  • A1-Trp-insulin
  • Insulin, tryptophan(A1)-

Systematic Name

  • Insulin (ox), 1A-D-tryptophan-

Registry Numbers

CAS Registry Number

  • 84134-95-2

System Generated Number

  • 0084134952

Structure Descriptors

InChI

1S/C263H384N66O75S6/c1-29-136(24)213(327-218(358)157(266)102-148-108-278-158-52-40-39-51-155(148)158)259(399)326-212(135(22)23)255(395)297-167(78-85-207(353)354)225(365)291-164(74-81-197(269)340)229(369)317-192-121-409-410-122-193-251(391)315-186(115-331)247(387)303-170(91-127(6)7)232(372)304-176(98-144-56-64-151(334)65-57-144)235(375)292-162(72-79-195(267)338)226(366)299-169(90-126(4)5)230(370)294-166(77-84-206(351)352)228(368)311-182(105-198(270)341)242(382)307-178(100-146-60-68-153(336)69-61-146)238(378)318-191(250(390)313-184(262(403)404)107-200(272)343)120-408-406-118-189(221(361)280-111-201(344)287-161(75-82-204(347)348)224(364)290-159(54-43-87-277-263(273)274)219(359)279-112-202(345)288-174(96-142-47-35-31-36-48-142)234(374)306-175(97-143-49-37-32-38-50-143)237(377)308-179(101-147-62-70-154(337)71-63-147)245(385)328-214(140(28)333)260(400)329-88-44-55-194(329)253(393)295-160(53-41-42-86-264)222(362)286-139(27)261(401)402)320-257(397)210(133(18)19)324-243(383)172(93-129(10)11)301-236(376)177(99-145-58-66-152(335)67-59-145)305-231(371)168(89-125(2)3)298-215(355)137(25)284-223(363)165(76-83-205(349)350)296-254(394)209(132(16)17)323-244(384)173(94-130(12)13)302-240(380)181(104-150-110-276-124-283-150)310-246(386)185(114-330)289-203(346)113-281-220(360)188(117-405-407-119-190(319-252(192)392)249(389)285-138(26)216(356)314-187(116-332)248(388)325-211(134(20)21)258(398)321-193)316-233(373)171(92-128(8)9)300-239(379)180(103-149-109-275-123-282-149)309-227(367)163(73-80-196(268)339)293-241(381)183(106-199(271)342)312-256(396)208(131(14)15)322-217(357)156(265)95-141-45-33-30-34-46-141/h30-40,45-52,56-71,108-110,123-140,156-157,159-194,208-214,278,330-337H,29,41-44,53-55,72-107,111-122,264-266H2,1-28H3,(H2,267,338)(H2,268,339)(H2,269,340)(H2,270,341)(H2,271,342)(H2,272,343)(H,275,282)(H,276,283)(H,279,359)(H,280,361)(H,281,360)(H,284,363)(H,285,389)(H,286,362)(H,287,344)(H,288,345)(H,289,346)(H,290,364)(H,291,365)(H,292,375)(H,293,381)(H,294,370)(H,295,393)(H,296,394)(H,297,395)(H,298,355)(H,299,366)(H,300,379)(H,301,376)(H,302,380)(H,303,387)(H,304,372)(H,305,371)(H,306,374)(H,307,382)(H,308,377)(H,309,367)(H,310,386)(H,311,368)(H,312,396)(H,313,390)(H,314,356)(H,315,391)(H,316,373)(H,317,369)(H,318,378)(H,319,392)(H,320,397)(H,321,398)(H,322,357)(H,323,384)(H,324,383)(H,325,388)(H,326,399)(H,327,358)(H,328,385)(H,347,348)(H,349,350)(H,351,352)(H,353,354)(H,401,402)(H,403,404)(H4,273,274,277)/t136-,137-,138-,139-,140+,156-,157+,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-,185-,186-,187-,188-,189-,190-,191-,192-,193-,194-,208-,209-,210-,211-,212-,213-,214-/m0/s1

InChIKey

AINVSKCXVMCXDV-MGBHVMTFSA-N

Smiles

CC[C@H](C)[C@H](NC(=O)[C@H](N)Cc1c[nH]c2ccccc12)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]3CSSC[C@@H]4NC(=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](Cc5cnc[nH]5)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc6ccccc6)C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc7cnc[nH]7)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](Cc8ccc(O)cc8)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](Cc9ccc(O)cc9)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](Cc%10ccc(O)cc%10)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC4=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](Cc%11ccccc%11)C(=O)N[C@@H](Cc%12ccccc%12)C(=O)N[C@@H](Cc%13ccc(O)cc%13)C(=O)N[C@@H]([C@@H](C)O)C(=O)N%14CCC[C@H]%14C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)O)NC3=O)C(C)C