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Substance Name: Proinsulin
RN: 11062-00-3
InChIKey: KXKDYRQZICYLRU-SFERFBGJSA-N

Molecular Formula

  • C381-H585-N107-O114-S6

Molecular Weight

  • 8680.8435
 
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Names and Synonyms

MeSH Heading

  • Proinsulin

Synonym

  • Proinsulin, bovine

Systematic Name

  • Proinsulin

Registry Numbers

CAS Registry Number

  • 11062-00-3

System Generated Number

  • 0011062003

Structure Descriptors

InChI

1S/C381H585N107O114S6/c1-42-197(34)307-374(598)482-306(196(32)33)370(594)448-236(109-122-298(529)530)329(553)437-230(100-113-274(387)499)334(558)470-265-177-607-608-178-266-361(585)468-259(171-490)357(581)456-243(140-186(12)13)342(566)457-249(147-208-82-90-214(493)91-83-208)345(569)439-228(98-111-272(385)497)330(554)452-242(139-185(10)11)340(564)442-235(108-121-297(527)528)333(557)464-255(153-277(390)502)352(576)460-251(149-210-86-94-216(495)95-87-210)348(572)471-264(360(584)466-257(377(601)602)155-279(392)504)176-606-604-174-262(473-372(596)304(194(28)29)480-353(577)245(142-188(16)17)454-346(570)250(148-209-84-92-215(494)93-85-209)458-341(565)241(138-184(8)9)450-313(537)202(39)425-323(547)233(106-119-295(523)524)447-369(593)303(193(26)27)479-354(578)246(143-189(18)19)455-350(574)254(152-213-157-402-180-420-213)463-356(580)258(170-489)430-287(512)165-414-320(544)261(173-603-605-175-263(472-362(265)586)359(583)426-203(40)314(538)467-260(172-491)358(582)481-305(195(30)31)373(597)474-266)469-343(567)244(141-187(14)15)453-349(573)253(151-212-156-401-179-419-212)462-331(555)229(99-112-273(386)498)440-351(575)256(154-278(391)503)465-371(595)301(191(22)23)476-315(539)218(384)144-205-65-46-43-47-66-205)321(545)413-163-285(510)427-227(105-118-294(521)522)327(551)433-220(74-57-127-404-379(395)396)316(540)411-164-286(511)429-247(145-206-67-48-44-49-68-206)344(568)459-248(146-207-69-50-45-51-70-207)347(571)461-252(150-211-88-96-217(496)97-89-211)355(579)483-308(204(41)492)376(600)488-134-63-80-270(488)366(590)443-221(71-52-54-124-382)322(546)424-201(38)312(536)431-223(75-58-128-405-380(397)398)325(549)435-224(76-59-129-406-381(399)400)326(550)438-237(110-123-299(531)532)336(560)478-302(192(24)25)368(592)446-226(104-117-293(519)520)319(543)417-168-290(515)485-131-61-78-268(485)364(588)445-232(102-115-276(389)501)335(559)477-300(190(20)21)367(591)416-162-283(508)422-200(37)311(535)449-240(137-183(6)7)339(563)441-234(107-120-296(525)526)332(556)451-239(136-182(4)5)337(561)423-199(36)310(534)410-159-281(506)408-167-289(514)484-130-60-77-267(484)363(587)415-161-282(507)421-198(35)309(533)409-158-280(505)407-160-284(509)428-238(135-181(2)3)338(562)436-225(103-116-292(517)518)318(542)418-169-291(516)486-132-64-81-271(486)375(599)487-133-62-79-269(487)365(589)444-231(101-114-275(388)500)328(552)434-222(72-53-55-125-383)324(548)432-219(73-56-126-403-378(393)394)317(541)412-166-288(513)475-307/h43-51,65-70,82-97,156-157,179-204,218-271,300-308,489-496H,42,52-64,71-81,98-155,158-178,382-384H2,1-41H3,(H2,385,497)(H2,386,498)(H2,387,499)(H2,388,500)(H2,389,501)(H2,390,502)(H2,391,503)(H2,392,504)(H,401,419)(H,402,420)(H,407,505)(H,408,506)(H,409,533)(H,410,534)(H,411,540)(H,412,541)(H,413,545)(H,414,544)(H,415,587)(H,416,591)(H,417,543)(H,418,542)(H,421,507)(H,422,508)(H,423,561)(H,424,546)(H,425,547)(H,426,583)(H,427,510)(H,428,509)(H,429,511)(H,430,512)(H,431,536)(H,432,548)(H,433,551)(H,434,552)(H,435,549)(H,436,562)(H,437,553)(H,438,550)(H,439,569)(H,440,575)(H,441,563)(H,442,564)(H,443,590)(H,444,589)(H,445,588)(H,446,592)(H,447,593)(H,448,594)(H,449,535)(H,450,537)(H,451,556)(H,452,554)(H,453,573)(H,454,570)(H,455,574)(H,456,581)(H,457,566)(H,458,565)(H,459,568)(H,460,576)(H,461,571)(H,462,555)(H,463,580)(H,464,557)(H,465,595)(H,466,584)(H,467,538)(H,468,585)(H,469,567)(H,470,558)(H,471,572)(H,472,586)(H,473,596)(H,474,597)(H,475,513)(H,476,539)(H,477,559)(H,478,560)(H,479,578)(H,480,577)(H,481,582)(H,482,598)(H,483,579)(H,517,518)(H,519,520)(H,521,522)(H,523,524)(H,525,526)(H,527,528)(H,529,530)(H,531,532)(H,601,602)(H4,393,394,403)(H4,395,396,404)(H4,397,398,405)(H4,399,400,406)/t197-,198-,199-,200-,201-,202-,203-,204+,218-,219-,220-,221-,222-,223-,224-,225-,226-,227-,228-,229-,230-,231-,232-,233-,234-,235-,236-,237-,238-,239-,240-,241-,242-,243-,244-,245-,246-,247-,248-,249-,250-,251-,252-,253-,254-,255-,256-,257-,258-,259-,260-,261-,262-,263-,264-,265-,266-,267-,268-,269-,270-,271-,300-,301-,302-,303-,304-,305-,306-,307-,308-/m0/s1

InChIKey

KXKDYRQZICYLRU-SFERFBGJSA-N

Smiles

CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H]2CSSC[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N4CCC[C@H]4C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N5CCC[C@H]5C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N6CCC[C@H]6C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N7CCC[C@H]7C(=O)N8CCC[C@H]8C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N1)CCCNC(=N)N)CCCCN)CCC(=O)N)CCC(=O)O)CC(C)C)C)C)CC(C)C)CCC(=O)O)CC(C)C)C)C(C)C)CCC(=O)N)CCC(=O)O)C(C)C)CCC(=O)O)CCCNC(=N)N)CCCNC(=N)N)C)CCCCN)[C@@H](C)O)Cc9ccc(cc9)O)Cc1ccccc1)Cc1ccccc1)CCCNC(=N)N)CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N3)C(C)C)CO)C)NC2=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc1ccccc1)N)CO)Cc1cnc[nH]1)CC(C)C)C(C)C)CCC(=O)O)C)CC(C)C)Cc1ccc(cc1)O)CC(C)C)C(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)O)Cc1ccc(cc1)O)CC(=O)N)CCC(=O)O)CC(C)C)CCC(=O)N)Cc1ccc(cc1)O)CC(C)C)CO)CCC(=O)N)CCC(=O)O)C(C)C