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Substance Name: Cobra cytotoxin IV
RN: 60488-15-5
InChIKey: SVSAJASRJDFFOB-ZTWLEVDESA-N

Molecular Formula

  • C299-H493-N79-O77-S10

Molecular Weight

  • 6785.2021
 
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Names and Synonyms

Name of Substance

  • Cobra cytotoxin IV

Systematic Name

  • Cytotoxin D1 (Naja naja atra reduced)

Registry Numbers

CAS Registry Number

  • 60488-15-5

System Generated Number

  • 0060488155

Structure Descriptors

InChI

1S/C296H479N83O79S10/c1-34-156(26)232(285(449)353-199(131-224(398)399)267(431)368-228(152(18)19)284(448)363-209-142-468-466-141-208(274(438)361-206-139-464-465-140-207(273(437)355-200(293(457)458)129-220(311)393)359-247(411)180(78-59-107-320-296(316)317)332-261(425)198(130-223(396)397)354-286(450)233(159(29)382)374-266(430)197(128-219(310)392)351-272(206)436)362-283(447)227(151(16)17)367-265(429)192(123-166-87-93-169(387)94-88-166)343-245(409)178(75-47-55-103-303)337-280(444)225(149(12)13)366-262(426)185(116-146(6)7)338-237(401)158(28)323-268(432)201(134-380)356-260(424)196(127-218(309)391)348-244(408)176(73-45-53-101-301)335-277(441)212-80-61-109-377(212)289(209)453)372-275(439)203-136-461-467-143-210-290(454)376-108-60-79-211(376)276(440)324-157(27)236(400)321-132-221(394)325-172(69-41-49-97-297)240(404)347-194(125-216(307)389)258(422)340-183(114-144(2)3)252(416)360-205(138-463-462-137-204(358-246(410)173(70-42-50-98-298)327-238(402)170(305)68-57-105-318-294(312)313)271(435)350-193(124-215(306)388)257(421)330-175(72-44-52-100-300)243(407)339-186(117-147(8)9)263(427)370-230(154(22)23)291(455)378-110-62-81-213(378)278(442)352-184(115-145(4)5)251(415)344-189(120-163-66-39-36-40-67-163)256(420)345-190(121-164-83-89-167(385)90-84-164)253(417)331-179(76-48-56-104-304)249(413)373-234(160(30)383)287(451)364-210)270(434)346-191(122-165-85-91-168(386)92-86-165)254(418)329-174(71-43-51-99-299)241(405)333-181(95-112-459-32)248(412)342-188(119-162-64-37-35-38-65-162)255(419)334-182(96-113-460-33)250(414)365-226(150(14)15)282(446)357-202(135-381)269(433)349-195(126-217(308)390)259(423)341-187(118-148(10)11)264(428)375-235(161(31)384)288(452)371-231(155(24)25)292(456)379-111-63-82-214(379)279(443)369-229(153(20)21)281(445)336-177(74-46-54-102-302)242(406)328-171(77-58-106-319-295(314)315)239(403)322-133-222(395)326-203/h35-40,64-67,83-94,144-161,170-214,225-235,380-387H,34,41-63,68-82,95-143,297-305H2,1-33H3,(H2,306,388)(H2,307,389)(H2,308,390)(H2,309,391)(H2,310,392)(H2,311,393)(H,321,400)(H,322,403)(H,323,432)(H,324,440)(H,325,394)(H,326,395)(H,327,402)(H,328,406)(H,329,418)(H,330,421)(H,331,417)(H,332,425)(H,333,405)(H,334,419)(H,335,441)(H,336,445)(H,337,444)(H,338,401)(H,339,407)(H,340,422)(H,341,423)(H,342,412)(H,343,409)(H,344,415)(H,345,420)(H,346,434)(H,347,404)(H,348,408)(H,349,433)(H,350,435)(H,351,436)(H,352,442)(H,353,449)(H,354,450)(H,355,437)(H,356,424)(H,357,446)(H,358,410)(H,359,411)(H,360,416)(H,361,438)(H,362,447)(H,363,448)(H,364,451)(H,365,414)(H,366,426)(H,367,429)(H,368,431)(H,369,443)(H,370,427)(H,371,452)(H,372,439)(H,373,413)(H,374,430)(H,375,428)(H,396,397)(H,398,399)(H,457,458)(H4,312,313,318)(H4,314,315,319)(H4,316,317,320)/t156-,157-,158-,159+,160+,161+,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-,213-,214-,225-,226-,227-,228-,229-,230-,231-,232-,233-,234-,235-/m0/s1

InChIKey

SVSAJASRJDFFOB-ZTWLEVDESA-N

Smiles

CC[C@H](C)[C@H](NC(=O)[C@@H]1CSSC[C@@H]2NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]5CCCN5C(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H]6CCCN6C2=O)C(=O)N[C@@H](Cc7ccc(O)cc7)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc8ccccc8)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N9CCC[C@H]9C(=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)N1)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCNC(=N)N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@H]%10CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc%11ccc(O)cc%11)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]%12CCCN%12C%10=O)C(C)C)C(C)C)C(=O)N[C@H]%13CSSC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)N)NC%13=O)[C@@H](C)O)C(=O)N[C@@H](CC(=O)N)C(=O)O