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Substance Name: Cardiotoxin VII1 (Naja melanoleuca)
RN: 67995-47-5
InChIKey: UIKREIZSDBPKRR-WGRZLZKZSA-N

Molecular Formula

  • C287-H479-N81-O81-S10

Molecular Weight

  • 6674.008
 
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Names and Synonyms

  • Cardiotoxin VII1 (Naja melanoleuca)

Registry Numbers

CAS Registry Number

  • 67995-47-5

System Generated Number

  • 0067995475

Structure Descriptors

InChI

1S/C287H470N80O82S10/c1-36-147(26)222-276(439)312-151(30)229(392)327-183(113-158-120-305-135-310-158)248(411)318-170(65-45-52-96-294)242(405)361-226(153(32)373)279(442)351-201-134-458-452-127-194(266(429)358-223(148(27)37-2)277(440)338-188(119-215(389)390)256(419)355-219(144(20)21)275(438)350-200-133-459-457-132-199(265(428)348-197-130-455-456-131-198(264(427)340-189(285(448)449)117-210(300)382)345-238(401)171(67-54-98-307-287(303)304)319-251(414)187(118-214(387)388)339-278(441)225(152(31)372)362-255(418)186(116-209(299)381)337-263(197)426)349-274(437)218(143(18)19)354-254(417)182(112-157-76-82-161(377)83-77-157)333-235(398)169(64-44-51-95-293)326-271(434)216(141(14)15)353-252(415)178(108-139(10)11)330-244(407)176(106-137(6)7)331-258(421)190(123-368)343-259(422)191(124-369)341-237(400)167(62-42-49-93-291)324-268(431)203-69-56-100-365(203)281(200)444)314-212(384)122-309-231(394)163(66-53-97-306-286(301)302)316-233(396)168(63-43-50-94-292)325-272(435)220(145(22)23)356-269(432)204-70-58-102-367(204)284(447)224(149(28)38-3)360-280(443)227(154(33)374)363-260(423)193(126-371)342-236(399)166(61-41-48-92-290)320-257(420)192(125-370)344-273(436)217(142(16)17)352-243(406)175(89-104-451-35)323-247(410)180(110-155-72-78-159(375)79-73-155)332-241(404)174(88-103-450-34)322-239(402)172(84-86-206(296)378)321-246(409)181(111-156-74-80-160(376)81-75-156)334-261(424)196(347-245(408)177(107-138(8)9)329-250(413)185(115-208(298)380)335-232(395)164(59-39-46-90-288)313-211(383)121-308-228(391)150(29)311-267(430)202-68-55-99-364(202)282(201)445)129-454-453-128-195(346-240(403)173(85-87-213(385)386)315-230(393)162(295)105-136(4)5)262(425)336-184(114-207(297)379)249(412)317-165(60-40-47-91-289)234(397)328-179(109-140(12)13)253(416)357-221(146(24)25)283(446)366-101-57-71-205(366)270(433)359-222/h72-83,120,135-154,162-205,216-227,368-377H,36-71,84-119,121-134,288-295H2,1-35H3,(H2,296,378)(H2,297,379)(H2,298,380)(H2,299,381)(H2,300,382)(H,305,310)(H,308,391)(H,309,394)(H,311,430)(H,312,439)(H,313,383)(H,314,384)(H,315,393)(H,316,396)(H,317,412)(H,318,411)(H,319,414)(H,320,420)(H,321,409)(H,322,402)(H,323,410)(H,324,431)(H,325,435)(H,326,434)(H,327,392)(H,328,397)(H,329,413)(H,330,407)(H,331,421)(H,332,404)(H,333,398)(H,334,424)(H,335,395)(H,336,425)(H,337,426)(H,338,440)(H,339,441)(H,340,427)(H,341,400)(H,342,399)(H,343,422)(H,344,436)(H,345,401)(H,346,403)(H,347,408)(H,348,428)(H,349,437)(H,350,438)(H,351,442)(H,352,406)(H,353,415)(H,354,417)(H,355,419)(H,356,432)(H,357,416)(H,358,429)(H,359,433)(H,360,443)(H,361,405)(H,362,418)(H,363,423)(H,385,386)(H,387,388)(H,389,390)(H,448,449)(H4,301,302,306)(H4,303,304,307)/t147-,148-,149-,150-,151-,152+,153+,154+,162-,163-,164-,165-,166-,167-,168-,169-,170-,171-,172-,173-,174-,175-,176-,177-,178-,179-,180-,181-,182-,183-,184-,185-,186-,187-,188-,189-,190-,191-,192-,193-,194-,195-,196-,197-,198-,199-,200-,201-,202-,203-,204-,205-,216-,217-,218-,219-,220-,221-,222-,223-,224-,225-,226-,227-/m0/s1

InChIKey

UIKREIZSDBPKRR-WGRZLZKZSA-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]2CSSC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]3CCCN3C(=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](NC(=O)[C@H](CSSC[C@@H](C(=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)N1)C(C)C)CC(C)C)CCCCN)CC(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H]5CCCN5C2=O)C)CCCCN)CC(=O)N)CC(C)C)Cc6ccc(cc6)O)CCC(=O)N)CCSC)Cc7ccc(cc7)O)CCSC)C(C)C)CO)CCCCN)CO)[C@@H](C)O)[C@@H](C)CC)C(C)C)CCCCN)CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@H]8CSSC[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]9CCCN9C8=O)CCCCN)CO)CO)CC(C)C)CC(C)C)C(C)C)CCCCN)Cc1ccc(cc1)O)C(C)C)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CC(=O)N)[C@@H](C)O)CC(=O)O)CCCNC(=N)N)C(=O)N[C@@H](CC(=O)N)C(=O)O)[C@@H](C)O)CCCCN)Cc1cnc[nH]1)C