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Substance Name: Cytotoxin CM 7 (Naja naja kaouthia reduced) 60
RN: 76483-70-0
InChIKey: BFDXLZMEWMPGBX-CZILRVEMSA-N

Molecular Formula

  • C293-H487-N81-O79-S10

Molecular Weight

  • 6709.1441
 
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Names and Synonyms

  • Cytotoxin CM 7 (Naja naja kaouthia reduced) 60

Registry Numbers

CAS Registry Number

  • 76483-70-0

System Generated Number

  • 0076483700

Structure Descriptors

InChI

1S/C292H479N81O79S10/c1-35-153(25)228(282(443)348-196(128-221(390)391)251(412)318-157(29)235(396)358-207-140-461-460-139-206(272(433)356-204-137-458-459-138-205(271(432)350-198(290(451)452)127-218(308)387)354-245(406)179(76-59-105-314-292(311)312)328-261(422)197(129-222(392)393)349-283(444)230(158(30)376)369-265(426)195(126-217(307)386)346-270(204)431)357-281(442)225(150(19)20)362-264(425)190(121-164-85-91-167(381)92-86-164)340-243(404)176(72-46-55-101-299)333-278(439)223(148(15)16)361-262(423)185(116-146(11)12)337-252(413)183(114-144(7)8)338-266(427)199(132-374)351-260(421)194(125-216(306)385)343-242(403)174(70-44-53-99-297)331-275(436)210-78-61-107-371(210)286(207)447)365-273(434)201-134-455-462-141-208-287(448)370-106-60-77-209(370)274(435)319-155(27)233(394)315-130-219(388)320-170(66-40-49-95-293)238(399)342-193(124-215(305)384)259(420)336-184(115-145(9)10)253(414)355-203(136-457-456-135-202(353-244(405)171(67-41-50-96-294)322-236(397)168(302)112-142(3)4)269(430)345-192(123-214(304)383)258(419)325-173(69-43-52-98-296)241(402)335-186(117-147(13)14)263(424)366-229(154(26)36-2)289(450)373-109-62-79-211(373)276(437)347-182(113-143(5)6)250(411)317-156(28)234(395)334-187(119-162-81-87-165(379)88-82-162)254(415)326-177(73-47-56-102-300)247(408)367-231(159(31)377)284(445)359-208)268(429)341-189(120-163-83-89-166(380)90-84-163)255(416)324-172(68-42-51-97-295)239(400)329-180(93-110-453-33)246(407)339-188(118-161-64-38-37-39-65-161)256(417)330-181(94-111-454-34)249(410)360-224(149(17)18)280(441)352-200(133-375)267(428)344-191(122-213(303)382)257(418)327-178(74-48-57-103-301)248(409)368-232(160(32)378)285(446)364-227(152(23)24)288(449)372-108-63-80-212(372)277(438)363-226(151(21)22)279(440)332-175(71-45-54-100-298)240(401)323-169(75-58-104-313-291(309)310)237(398)316-131-220(389)321-201/h37-39,64-65,81-92,142-160,168-212,223-232,374-381H,35-36,40-63,66-80,93-141,293-302H2,1-34H3,(H2,303,382)(H2,304,383)(H2,305,384)(H2,306,385)(H2,307,386)(H2,308,387)(H,315,394)(H,316,398)(H,317,411)(H,318,412)(H,319,435)(H,320,388)(H,321,389)(H,322,397)(H,323,401)(H,324,416)(H,325,419)(H,326,415)(H,327,418)(H,328,422)(H,329,400)(H,330,417)(H,331,436)(H,332,440)(H,333,439)(H,334,395)(H,335,402)(H,336,420)(H,337,413)(H,338,427)(H,339,407)(H,340,404)(H,341,429)(H,342,399)(H,343,403)(H,344,428)(H,345,430)(H,346,431)(H,347,437)(H,348,443)(H,349,444)(H,350,432)(H,351,421)(H,352,441)(H,353,405)(H,354,406)(H,355,414)(H,356,433)(H,357,442)(H,358,396)(H,359,445)(H,360,410)(H,361,423)(H,362,425)(H,363,438)(H,364,446)(H,365,434)(H,366,424)(H,367,408)(H,368,409)(H,369,426)(H,390,391)(H,392,393)(H,451,452)(H4,309,310,313)(H4,311,312,314)/t153-,154-,155-,156-,157-,158+,159+,160+,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-,209-,210-,211-,212-,223-,224-,225-,226-,227-,228-,229-,230-,231-,232-/m0/s1

InChIKey

BFDXLZMEWMPGBX-CZILRVEMSA-N

Smiles

CC[C@H](C)[C@H]1C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H]3CSSC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]4CCCN4C(=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)N1)CC(C)C)CCCCN)CC(=O)N)NC(=O)[C@H](CCCCN)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]5CCCN5C3=O)C)CCCCN)CC(=O)N)CC(C)C)Cc6ccc(cc6)O)CCCCN)CCSC)Cc7ccccc7)CCSC)C(C)C)CO)CC(=O)N)CCCCN)[C@@H](C)O)C(C)C)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(=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)CC(=O)N)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)Cc1ccc(cc1)O)C)CC(C)C