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Substance Name: Emoctakin [INN]
RN: 142298-00-8
UNII: 41BO309OIM
InChIKey: WZSAUKFYOIPDBA-NRKCRZROSA-N

Molecular Formula

  • C372-H600-N106-O106-S4

Molecular Weight

  • 8381.732
 
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Names and Synonyms

Name of Substance

  • Emoctakin [INN]

Synonyms

  • Emoctakin
  • UNII-41BO309OIM

Systematic Name

  • Interleukin 8 (human)

Registry Numbers

CAS Registry Number

  • 142298-00-8

FDA UNII

  • 41BO309OIM

System Generated Number

  • 0142298008

Structure Descriptors

InChI

1S/C372H600N106O106S4/c1-38-194(28)291-357(573)430-221(94-59-68-136-378)309(525)425-233(116-126-279(500)501)319(535)440-240(150-184(8)9)328(544)421-227(102-76-144-404-372(396)397)324(540)464-290(193(26)27)356(572)471-293(196(30)40-3)359(575)434-236(119-129-282(506)507)321(537)455-257(173-480)303(519)407-171-275(493)475-145-77-103-265(475)348(564)451-250(160-209-168-398-181-408-209)336(552)461-261-177-585-586-178-262(459-313(529)225(100-74-142-402-370(392)393)420-327(543)239(149-183(6)7)439-318(534)232(115-125-278(498)499)423-306(522)216(89-54-63-131-373)414-298(514)199(33)410-301(517)213(382)172-479)345(561)426-228(111-121-269(383)487)322(538)460-264(347(563)470-292(195(29)39-2)358(574)431-223(96-61-70-138-380)325(541)473-297(203(37)485)363(579)452-247(158-207-107-109-211(486)110-108-207)335(551)457-258(174-481)342(558)436-238(97-62-71-139-381)364(580)476-146-78-106-268(476)351(567)450-246(156-205-83-48-44-49-84-205)334(550)453-255(161-210-169-399-182-409-210)365(581)477-147-79-104-266(477)349(565)428-220(93-58-67-135-377)311(527)445-248(339(555)469-291)157-206-85-50-45-51-86-206)180-588-587-179-263(462-332(548)244(154-188(16)17)441-317(533)231(114-124-277(496)497)422-305(521)215(98-72-140-400-368(388)389)413-274(492)170-406-302(518)254(165-284(510)511)449-343(559)259(175-482)456-331(547)243(153-187(14)15)438-312(528)222(95-60-69-137-379)429-353(569)288(191(22)23)467-360(576)295(198(32)42-5)472-361(577)294(197(31)41-4)468-326(542)237(120-130-283(508)509)435-362(578)296(202(36)484)474-341(557)253(164-273(387)491)437-300(516)201(35)412-344(261)560)346(562)443-242(152-186(12)13)330(546)454-256(166-285(512)513)366(582)478-148-80-105-267(478)350(566)427-219(92-57-66-134-376)308(524)424-234(117-127-280(502)503)320(536)447-251(162-271(385)489)337(553)446-249(159-208-167-405-214-88-53-52-87-212(208)214)340(556)465-286(189(18)19)352(568)432-229(112-122-270(384)488)314(530)418-226(101-75-143-403-371(394)395)323(539)463-289(192(24)25)355(571)466-287(190(20)21)354(570)433-235(118-128-281(504)505)315(531)416-218(91-56-65-133-375)310(526)444-245(155-204-81-46-43-47-82-204)333(549)442-241(151-185(10)11)329(545)419-217(90-55-64-132-374)307(523)417-224(99-73-141-401-369(390)391)304(520)411-200(34)299(515)415-230(113-123-276(494)495)316(532)448-252(163-272(386)490)338(554)458-260(176-483)367(583)584/h43-53,81-88,107-110,167-169,181-203,213,215-268,286-297,405,479-486H,38-42,54-80,89-106,111-166,170-180,373-382H2,1-37H3,(H2,383,487)(H2,384,488)(H2,385,489)(H2,386,490)(H2,387,491)(H,398,408)(H,399,409)(H,406,518)(H,407,519)(H,410,517)(H,411,520)(H,412,560)(H,413,492)(H,414,514)(H,415,515)(H,416,531)(H,417,523)(H,418,530)(H,419,545)(H,420,543)(H,421,544)(H,422,521)(H,423,522)(H,424,524)(H,425,525)(H,426,561)(H,427,566)(H,428,565)(H,429,569)(H,430,573)(H,431,574)(H,432,568)(H,433,570)(H,434,575)(H,435,578)(H,436,558)(H,437,516)(H,438,528)(H,439,534)(H,440,535)(H,441,533)(H,442,549)(H,443,562)(H,444,526)(H,445,527)(H,446,553)(H,447,536)(H,448,532)(H,449,559)(H,450,567)(H,451,564)(H,452,579)(H,453,550)(H,454,546)(H,455,537)(H,456,547)(H,457,551)(H,458,554)(H,459,529)(H,460,538)(H,461,552)(H,462,548)(H,463,539)(H,464,540)(H,465,556)(H,466,571)(H,467,576)(H,468,542)(H,469,555)(H,470,563)(H,471,572)(H,472,577)(H,473,541)(H,474,557)(H,494,495)(H,496,497)(H,498,499)(H,500,501)(H,502,503)(H,504,505)(H,506,507)(H,508,509)(H,510,511)(H,512,513)(H,583,584)(H4,388,389,400)(H4,390,391,401)(H4,392,393,402)(H4,394,395,403)(H4,396,397,404)/t194-,195-,196-,197-,198-,199-,200-,201-,202+,203+,213-,215-,216-,217-,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-,286-,287-,288-,289-,290-,291-,292-,293-,294-,295-,296-,297-/m0/s1

InChIKey

WZSAUKFYOIPDBA-NRKCRZROSA-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](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N3CCC[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](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N4CCC[C@H]4C(=O)N[C@H](C(=O)N[C@H]5CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=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)[C@@H](NC5=O)C)CC(=O)N)[C@@H](C)O)CCC(=O)O)[C@@H](C)CC)[C@@H](C)CC)C(C)C)CCCCN)CC(C)C)CO)CC(=O)O)CCCNC(=N)N)CCC(=O)O)CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N6CCC[C@H]6C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](Cc7c[nH]c8c7cccc8)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc9ccccc9)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)O)C(=O)N1)CCC(=O)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CO)N)Cc1cnc[nH]1)CO)CCC(=O)O)[C@@H](C)CC)C(C)C)CCCNC(=N)N)CC(C)C)CCC(=O)O)CCCCN)[C@@H](C)CC)Cc1ccccc1)CCCCN)Cc1cnc[nH]1)Cc1ccccc1)CCCCN)CO)Cc1ccc(cc1)O)[C@@H](C)O)CCCCN