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Substance Name: Scorpion toxin II, androctonus
RN: 37309-04-9
InChIKey: RGHDNGUYOAUWSO-WQHMLTIJSA-N

Note

  • From Androctonus australis.

Molecular Formula

  • C313-H465-N89-O95-S8

Molecular Weight

  • 7465.3961
 
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Names and Synonyms

Name of Substance

  • Scorpion toxin II, androctonus

Synonyms

  • Aah II
  • alpha-Scorpion toxin II
  • Alphasctx
  • Neurotoxin aah II
  • Neurotoxin II (androctonus)
  • SC Toxin II

Systematic Name

  • Neurotoxin II (Androctonus australis reduced)

Registry Numbers

CAS Registry Number

  • 37309-04-9

System Generated Number

  • 0037309049

Structure Descriptors

InChI

1S/C321H479N93O98S8/c1-21-158(14)256(408-294(488)201(113-168-64-78-178(422)79-65-168)366-241(436)135-351-267(461)214(125-248(446)447)387-272(466)190(51-30-35-99-325)373-307(501)252(332)154(6)7)311(505)407-255(157(12)13)310(504)393-216(127-250(450)451)293(487)388-217(128-251(452)453)296(490)406-254(156(10)11)309(503)392-213(124-236(331)431)291(485)404-228(149-520)303(497)411-259(164(20)419)314(508)391-206(117-172-72-86-182(426)87-73-172)286(480)379-203(110-165-44-23-22-24-45-165)288(482)398-221(142-513)269(463)353-133-237(432)361-187(53-37-101-343-318(333)334)270(464)385-211(122-234(329)429)282(476)360-159(15)260(454)377-202(114-169-66-80-179(423)81-67-169)287(481)402-226(147-518)301(495)386-212(123-235(330)430)290(484)371-195(90-94-246(442)443)276(470)370-196(91-95-247(444)445)278(472)400-227(148-519)302(496)410-258(163(19)418)313(507)376-191(52-31-36-100-326)273(467)378-198(108-152(2)3)283(477)368-185(48-27-32-96-322)263(457)348-132-238(433)363-193(89-93-245(440)441)275(469)395-219(140-415)268(462)352-137-242(437)365-200(112-167-62-76-177(421)77-63-167)284(478)401-223(144-515)297(491)372-194(88-92-232(327)427)277(471)382-207(118-173-129-347-184-47-26-25-46-183(173)184)280(474)358-160(16)261(455)396-220(141-416)316(510)414-107-43-59-231(414)305(499)389-199(111-166-60-74-176(420)75-61-166)265(459)349-136-243(438)367-210(121-233(328)428)281(475)359-161(17)262(456)397-222(143-514)298(492)381-205(116-171-70-84-181(425)85-71-171)289(483)403-225(146-517)299(493)380-204(115-170-68-82-180(424)83-69-170)285(479)369-189(50-29-34-98-324)274(468)394-218(109-153(4)5)315(509)413-106-42-58-230(413)306(500)390-215(126-249(448)449)292(486)384-209(120-175-131-342-151-357-175)295(489)405-253(155(8)9)308(502)375-192(55-39-103-345-320(337)338)279(473)409-257(162(18)417)312(506)374-186(49-28-33-97-323)264(458)355-139-244(439)412-105-41-57-229(412)304(498)354-138-239(434)362-188(54-38-102-344-319(335)336)271(465)399-224(145-516)300(494)383-208(119-174-130-341-150-356-174)266(460)350-134-240(435)364-197(317(511)512)56-40-104-346-321(339)340/h22-26,44-47,60-87,129-131,150-164,185-231,252-259,347,415-426,513-520H,21,27-43,48-59,88-128,132-149,322-326,332H2,1-20H3,(H2,327,427)(H2,328,428)(H2,329,429)(H2,330,430)(H2,331,431)(H,341,356)(H,342,357)(H,348,457)(H,349,459)(H,350,460)(H,351,461)(H,352,462)(H,353,463)(H,354,498)(H,355,458)(H,358,474)(H,359,475)(H,360,476)(H,361,432)(H,362,434)(H,363,433)(H,364,435)(H,365,437)(H,366,436)(H,367,438)(H,368,477)(H,369,479)(H,370,470)(H,371,484)(H,372,491)(H,373,501)(H,374,506)(H,375,502)(H,376,507)(H,377,454)(H,378,467)(H,379,480)(H,380,493)(H,381,492)(H,382,471)(H,383,494)(H,384,486)(H,385,464)(H,386,495)(H,387,466)(H,388,487)(H,389,499)(H,390,500)(H,391,508)(H,392,503)(H,393,504)(H,394,468)(H,395,469)(H,396,455)(H,397,456)(H,398,482)(H,399,465)(H,400,472)(H,401,478)(H,402,481)(H,403,483)(H,404,485)(H,405,489)(H,406,490)(H,407,505)(H,408,488)(H,409,473)(H,410,496)(H,411,497)(H,440,441)(H,442,443)(H,444,445)(H,446,447)(H,448,449)(H,450,451)(H,452,453)(H,511,512)(H4,333,334,343)(H4,335,336,344)(H4,337,338,345)(H4,339,340,346)/t158-,159-,160-,161-,162+,163+,164+,185-,186-,187-,188-,189-,190-,191-,192-,193-,194-,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-,252-,253-,254-,255-,256-,257-,258-,259-/m0/s1

InChIKey

RGHDNGUYOAUWSO-WQHMLTIJSA-N

Smiles

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CS)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc4ccc(O)cc4)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](Cc5ccc(O)cc5)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](Cc6c[nH]c7ccccc67)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N8CCC[C@H]8C(=O)N[C@@H](Cc9ccc(O)cc9)C(=O)NCC(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc%10ccc(O)cc%10)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc%11ccc(O)cc%11)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N%12CCC[C@H]%12C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc%13cnc[nH]%13)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N%14CCC[C@H]%14C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc%15cnc[nH]%15)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)O