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Substance Name: Neurotoxin b (Acanthophis antarcticus reduced) 73
RN: 78320-69-1
InChIKey: RFCUPNFYTCDJFG-VGKOEMTBSA-N

Molecular Formula

  • C350-H546-N102-O102-S11

Molecular Weight

  • 8135.4354
 
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Names and Synonyms

  • Neurotoxin b (Acanthophis antarcticus reduced) 73

Registry Numbers

CAS Registry Number

  • 78320-69-1

System Generated Number

  • 0078320691

Structure Descriptors

InChI

1S/C350H546N102O102S10/c1-29-173(19)269(438-321(530)262(361)166(5)6)328(537)428-235(162-562)310(519)407-212(135-187-94-100-191(463)101-95-187)294(503)392-195(77-50-116-374-345(362)363)279(488)382-148-255(473)390-210(134-186-92-98-190(462)99-93-186)293(502)410-217(140-249(357)467)299(508)415-222(142-251(359)469)338(547)445-123-58-85-240(445)317(526)397-204(104-108-247(355)465)291(500)441-275(182(28)461)334(543)430-237(164-564)341(550)451-129-63-89-244(451)342(551)449-127-56-83-238(449)315(524)384-150-254(472)389-203(105-109-257(475)476)286(495)409-218(141-250(358)468)302(511)433-264(168(9)10)326(535)427-234(161-561)309(518)408-214(133-184-67-36-32-37-68-184)301(510)442-272(179(25)458)330(539)400-202(80-53-119-377-348(368)369)289(498)440-273(180(26)459)331(540)413-215(138-189-146-380-194-72-41-40-71-193(189)194)297(506)425-229(156-556)308(517)412-219(144-260(481)482)292(501)386-176(22)277(486)404-211(132-183-65-34-31-35-66-183)296(505)424-231(158-558)312(521)420-226(153-455)305(514)419-224(151-453)303(512)393-196(78-51-117-375-346(364)365)280(489)381-147-253(471)388-197(73-42-46-112-351)288(497)432-268(172(17)18)327(536)435-266(170(13)14)324(533)401-205(106-110-258(477)478)287(496)405-209(131-165(3)4)281(490)383-149-256(474)391-228(155-555)307(516)387-175(21)276(485)385-177(23)278(487)439-271(178(24)457)333(542)429-236(163-563)340(549)448-126-61-88-243(448)320(529)437-270(174(20)30-2)329(538)436-267(171(15)16)323(532)398-199(75-44-48-114-353)283(492)418-225(152-454)304(513)406-213(136-188-96-102-192(464)103-97-188)295(504)411-216(139-248(356)466)298(507)395-206(107-111-259(479)480)290(499)431-263(167(7)8)322(531)399-200(76-45-49-115-354)285(494)423-233(160-560)314(523)426-232(159-559)313(522)421-227(154-456)306(515)443-274(181(27)460)332(541)414-220(145-261(483)484)300(509)394-198(74-43-47-113-352)284(493)422-230(157-557)311(520)416-223(143-252(360)470)339(548)446-124-59-86-241(446)318(527)417-221(137-185-69-38-33-39-70-185)337(546)447-125-60-87-242(447)319(528)434-265(169(11)12)325(534)403-208(82-55-121-379-350(372)373)335(544)444-122-57-84-239(444)316(525)396-201(79-52-118-376-347(366)367)282(491)402-207(81-54-120-378-349(370)371)336(545)450-128-62-90-245(450)343(552)452-130-64-91-246(452)344(553)554/h31-41,65-72,92-103,146,165-182,195-246,262-275,380,453-464,555-564H,29-30,42-64,73-91,104-145,147-164,351-354,361H2,1-28H3,(H2,355,465)(H2,356,466)(H2,357,467)(H2,358,468)(H2,359,469)(H2,360,470)(H,381,489)(H,382,488)(H,383,490)(H,384,524)(H,385,485)(H,386,501)(H,387,516)(H,388,471)(H,389,472)(H,390,473)(H,391,474)(H,392,503)(H,393,512)(H,394,509)(H,395,507)(H,396,525)(H,397,526)(H,398,532)(H,399,531)(H,400,539)(H,401,533)(H,402,491)(H,403,534)(H,404,486)(H,405,496)(H,406,513)(H,407,519)(H,408,518)(H,409,495)(H,410,502)(H,411,504)(H,412,517)(H,413,540)(H,414,541)(H,415,508)(H,416,520)(H,417,527)(H,418,492)(H,419,514)(H,420,521)(H,421,522)(H,422,493)(H,423,494)(H,424,505)(H,425,506)(H,426,523)(H,427,535)(H,428,537)(H,429,542)(H,430,543)(H,431,499)(H,432,497)(H,433,511)(H,434,528)(H,435,536)(H,436,538)(H,437,529)(H,438,530)(H,439,487)(H,440,498)(H,441,500)(H,442,510)(H,443,515)(H,475,476)(H,477,478)(H,479,480)(H,481,482)(H,483,484)(H,553,554)(H4,362,363,374)(H4,364,365,375)(H4,366,367,376)(H4,368,369,377)(H4,370,371,378)(H4,372,373,379)/t173-,174-,175-,176-,177-,178+,179+,180+,181+,182+,195-,196-,197-,198-,199-,200-,201-,202-,203-,204-,205-,206-,207-,208-,209-,210-,211-,212-,213-,214-,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-,262-,263-,264-,265-,266-,267-,268-,269-,270-,271-,272-,273-,274-,275-/m0/s1

InChIKey

RFCUPNFYTCDJFG-VGKOEMTBSA-N

Smiles

CC[C@H](C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc3ccccc3)C(=O)N4CCC[C@H]4C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N5CCC[C@H]5C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N6CCC[C@H]6C(=O)N7CCC[C@H]7C(=O)O)NC(=O)[C@@H]8CCCN8C(=O)[C@H](CS)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](Cc9ccccc9)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)[C@H](CS)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](C(C)C)N