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Substance Name: Cardiotoxin F8 (Najanaja reduced)
RN: 56574-46-0
InChIKey: AMHOXPBZZIIGDD-PYQMNRSVSA-N

Molecular Formula

  • C289-H487-N79-O80-S11

Molecular Weight

  • 6701.2253
 
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Names and Synonyms

Synonyms

  • Cytotoxin 1 (Naja naja siamensis reduced)
  • Cytotoxin CM 6 (Najanaja kaouthia reduced)

Systematic Name

  • Cardiotoxin F8 (Najanaja reduced)

Registry Numbers

CAS Registry Number

  • 56574-46-0

System Generated Number

  • 0056574460

Structure Descriptors

InChI

1S/C289H487N79O80S11/c1-37-150(25)223(359-273(433)208-81-65-106-368(208)285(445)225(152(27)39-3)360-256(416)181(114-144(13)14)328-237(397)169(71-47-55-96-293)319-250(410)186(119-209(299)377)338-265(425)198(133-450)347-240(400)167(69-45-53-94-291)316-232(392)164(298)110-140(5)6)278(438)313-155(30)231(391)344-194(129-369)261(421)321-173(75-51-59-100-297)245(405)362-228(157(32)373)281(441)353-204(139-456)284(444)365-103-62-78-205(365)270(430)312-154(29)230(390)310-127-214(382)314-166(68-44-52-93-290)234(394)336-187(120-210(300)378)251(411)329-179(112-142(9)10)247(407)349-199(134-451)264(424)335-184(117-160-82-86-162(375)87-83-160)248(408)318-168(70-46-54-95-292)235(395)322-176(91-108-458-35)243(403)333-183(116-159-66-42-41-43-67-159)249(409)324-175(90-107-457-34)242(402)323-177(92-109-459-36)244(404)345-195(130-370)263(423)340-190(124-216(384)385)254(414)331-182(115-145(15)16)257(417)364-229(158(33)374)282(442)361-226(153(28)40-4)286(446)367-105-64-80-207(367)272(432)357-222(149(23)24)275(435)326-171(73-49-57-98-295)236(396)317-165(76-60-101-308-288(304)305)233(393)311-128-215(383)315-197(132-449)269(429)358-224(151(26)38-2)279(439)341-192(126-218(388)389)260(420)356-221(148(21)22)277(437)352-203(138-455)283(443)366-104-63-79-206(366)271(431)325-170(72-48-56-97-294)238(398)337-188(121-211(301)379)252(412)346-196(131-371)262(422)332-178(111-141(7)8)246(406)330-180(113-143(11)12)255(415)354-219(146(17)18)274(434)327-172(74-50-58-99-296)239(399)334-185(118-161-84-88-163(376)89-85-161)258(418)355-220(147(19)20)276(436)351-202(137-454)268(428)350-200(135-452)266(426)339-189(122-212(302)380)259(419)363-227(156(31)372)280(440)342-191(125-217(386)387)253(413)320-174(77-61-102-309-289(306)307)241(401)348-201(136-453)267(427)343-193(287(447)448)123-213(303)381/h41-43,66-67,82-89,140-158,164-208,219-229,369-376,449-456H,37-40,44-65,68-81,90-139,290-298H2,1-36H3,(H2,299,377)(H2,300,378)(H2,301,379)(H2,302,380)(H2,303,381)(H,310,390)(H,311,393)(H,312,430)(H,313,438)(H,314,382)(H,315,383)(H,316,392)(H,317,396)(H,318,408)(H,319,410)(H,320,413)(H,321,421)(H,322,395)(H,323,402)(H,324,409)(H,325,431)(H,326,435)(H,327,434)(H,328,397)(H,329,411)(H,330,406)(H,331,414)(H,332,422)(H,333,403)(H,334,399)(H,335,424)(H,336,394)(H,337,398)(H,338,425)(H,339,426)(H,340,423)(H,341,439)(H,342,440)(H,343,427)(H,344,391)(H,345,404)(H,346,412)(H,347,400)(H,348,401)(H,349,407)(H,350,428)(H,351,436)(H,352,437)(H,353,441)(H,354,415)(H,355,418)(H,356,420)(H,357,432)(H,358,429)(H,359,433)(H,360,416)(H,361,442)(H,362,405)(H,363,419)(H,364,417)(H,384,385)(H,386,387)(H,388,389)(H,447,448)(H4,304,305,308)(H4,306,307,309)/t150-,151-,152-,153-,154-,155-,156+,157+,158+,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-,206-,207-,208-,219-,220-,221-,222-,223-,224-,225-,226-,227-,228-,229-/m0/s1

InChIKey

AMHOXPBZZIIGDD-PYQMNRSVSA-N

Smiles

CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N4CCC[C@H]4C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CS)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](CS)C(=O)N5CCC[C@H]5C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc6ccc(cc6)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)N)C(=O)O)NC(=O)[C@@H]7CCCN7C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)N