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Substance Name: Neurotoxin b (Laticauda colubrina reduced)
RN: 85255-41-0
InChIKey: UZXCJLNVRJBVCH-ABADHSBQSA-N

Molecular Formula

  • C324-H522-N98-O96-S8

Molecular Weight

  • 7582.8058
 
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Names and Synonyms

  • Neurotoxin b (Laticauda colubrina reduced)

Registry Numbers

CAS Registry Number

  • 85255-41-0

System Generated Number

  • 0085255410

Structure Descriptors

InChI

1S/C324H522N98O96S8/c1-33-157(17)246(304(502)393-205(122-177-131-345-150-359-177)285(483)412-248(159(19)35-3)306(504)380-190(73-48-53-103-329)270(468)400-220(146-523)296(494)401-219(145-522)295(493)398-215(141-425)289(487)416-255(171(31)429)311(509)394-209(128-243(451)452)283(481)372-187(70-45-50-100-326)269(467)399-218(144-521)294(492)395-212(125-232(334)436)317(515)421-112-62-81-227(421)300(498)396-211(123-178-132-346-151-360-178)316(514)420-111-61-80-226(420)299(497)376-188(71-46-51-101-327)265(463)382-198(115-153(9)10)276(474)365-167(27)319(517)518)406-237(441)137-354-260(458)184(74-55-105-348-321(337)338)370-264(462)189(72-47-52-102-328)379-303(501)245(156(15)16)408-313(511)256(172(32)430)417-301(499)228-82-63-113-422(228)318(516)223(149-526)405-312(510)253(169(29)427)414-258(456)164(24)361-257(455)163(23)362-290(488)216(142-519)369-236(440)134-355-262(460)201(118-173-64-40-39-41-65-173)386-272(470)195(93-97-239(443)444)375-278(476)199(116-154(11)12)383-266(464)191(76-57-107-350-323(341)342)373-282(480)206(124-231(333)435)367-234(438)133-353-261(459)185(75-56-106-349-322(339)340)378-305(503)249(160(20)36-4)413-288(486)213(139-423)368-235(439)136-358-302(500)252(168(28)426)407-238(442)138-356-263(461)207(126-241(447)448)390-284(482)208(127-242(449)450)392-281(479)204(121-176-130-352-183-68-43-42-66-181(176)183)389-287(485)214(140-424)397-268(466)186(69-44-49-99-325)371-277(475)200(117-155(13)14)385-280(478)203(120-175-85-89-180(432)90-86-175)388-293(491)222(148-525)404-309(507)251(162(22)38-6)411-274(472)196(94-98-240(445)446)374-271(469)193(91-95-229(331)433)366-233(437)135-357-297(495)224-78-59-109-418(224)314(512)166(26)364-291(489)217(143-520)402-308(506)250(161(21)37-5)410-273(471)194(92-96-230(332)434)381-310(508)254(170(30)428)415-286(484)210(129-244(453)454)391-267(465)192(77-58-108-351-324(343)344)377-298(496)225-79-60-110-419(225)315(513)165(25)363-275(473)197(114-152(7)8)384-279(477)202(119-174-83-87-179(431)88-84-174)387-292(490)221(147-524)403-307(505)247(158(18)34-2)409-259(457)182(330)67-54-104-347-320(335)336/h39-43,64-66,68,83-90,130-132,150-172,182,184-228,245-256,352,423-432,519-526H,33-38,44-63,67,69-82,91-129,133-149,325-330H2,1-32H3,(H2,331,433)(H2,332,434)(H2,333,435)(H2,334,436)(H,345,359)(H,346,360)(H,353,459)(H,354,458)(H,355,460)(H,356,461)(H,357,495)(H,358,500)(H,361,455)(H,362,488)(H,363,473)(H,364,489)(H,365,474)(H,366,437)(H,367,438)(H,368,439)(H,369,440)(H,370,462)(H,371,475)(H,372,481)(H,373,480)(H,374,469)(H,375,476)(H,376,497)(H,377,496)(H,378,503)(H,379,501)(H,380,504)(H,381,508)(H,382,463)(H,383,464)(H,384,477)(H,385,478)(H,386,470)(H,387,490)(H,388,491)(H,389,485)(H,390,482)(H,391,465)(H,392,479)(H,393,502)(H,394,509)(H,395,492)(H,396,498)(H,397,466)(H,398,493)(H,399,467)(H,400,468)(H,401,494)(H,402,506)(H,403,505)(H,404,507)(H,405,510)(H,406,441)(H,407,442)(H,408,511)(H,409,457)(H,410,471)(H,411,472)(H,412,483)(H,413,486)(H,414,456)(H,415,484)(H,416,487)(H,417,499)(H,443,444)(H,445,446)(H,447,448)(H,449,450)(H,451,452)(H,453,454)(H,517,518)(H4,335,336,347)(H4,337,338,348)(H4,339,340,349)(H4,341,342,350)(H4,343,344,351)/t157-,158-,159-,160-,161-,162-,163-,164-,165-,166-,167-,168+,169+,170+,171+,172+,182-,184-,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-,245-,246-,247-,248-,249-,250-,251-,252-,253-,254-,255-,256-/m0/s1

InChIKey

UZXCJLNVRJBVCH-ABADHSBQSA-N

Smiles

CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)N)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc5ccc(O)cc5)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)CNC(=O)[C@@H]6CCCN6C(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]7CCCN7C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc8ccc(O)cc8)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCNC(=N)N)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](Cc9cnc[nH]9)C(=O)N[C@@H]([C@@H](C)CC)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)N%10CCC[C@H]%10C(=O)N[C@@H](Cc%11cnc[nH]%11)C(=O)N%12CCC[C@H]%12C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)O