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Substance Name: Neurotoxin III (Naja mossambica mossambica) 62
RN: 82600-21-3
InChIKey: IGCYAQHHQDSJPO-WHVIDKPESA-N

Molecular Formula

  • C296-H462-N104-O92-S9

Molecular Weight

  • 7210.1218
 
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Names and Synonyms

  • Neurotoxin III (Naja mossambica mossambica) 62

Registry Numbers

CAS Registry Number

  • 82600-21-3

System Generated Number

  • 0082600213

Structure Descriptors

InChI

1S/C296H462N102O92S9/c1-18-137(8)225-279(478)360-172(69-74-208(304)412)248(447)364-177(95-135(4)5)252(451)368-184(102-152-115-326-133-341-152)259(458)382-201(274(473)386-202-129-497-496-126-199(272(471)373-187(105-212(308)416)261(460)377-192(290(489)490)108-215(311)419)384-263(462)188(106-213(309)417)372-266(465)191(110-223(430)431)375-269(468)195(122-401)380-283(482)228(141(12)404)391-275(202)474)128-498-499-130-203(288(487)396-90-39-57-204(396)276(475)392-230(143(14)406)284(483)388-224(136(6)7)278(477)358-165(49-26-31-82-300)241(440)346-160(46-23-28-79-297)235(434)337-119-219(423)387-225)345-218(422)118-338-238(437)196-123-492-493-127-200-273(472)379-194(121-400)268(467)354-169(55-37-88-331-295(320)321)243(442)367-181(99-149-112-334-159-45-22-20-43-156(149)159)256(455)356-174(72-77-221(426)427)251(450)390-227(140(11)403)282(481)376-189(107-214(310)418)264(463)385-197(124-494-495-125-198(383-262(461)185(103-210(306)414)363-234(433)157(302)94-134(2)3)271(470)370-183(101-151-114-325-132-340-151)258(457)371-186(104-211(307)415)260(459)355-171(68-73-207(303)411)246(445)357-175(78-93-491-17)249(448)378-193(120-399)267(466)342-138(9)233(432)362-176(70-75-209(305)413)287(486)398-92-41-59-206(398)289(488)397-91-40-58-205(397)277(476)393-231(144(15)407)285(484)395-232(145(16)408)286(485)394-229(142(13)405)281(480)359-170(245(444)381-200)56-38-89-332-296(322)323)270(469)365-179(97-147-62-66-154(410)67-63-147)254(453)351-164(48-25-30-81-299)240(439)349-163(47-24-29-80-298)239(438)350-167(53-35-86-329-293(316)317)242(441)366-180(98-148-111-333-158-44-21-19-42-155(148)158)255(454)353-168(54-36-87-330-294(318)319)244(443)374-190(109-222(428)429)265(464)369-182(100-150-113-324-131-339-150)257(456)348-162(52-34-85-328-292(314)315)237(436)335-116-216(420)343-178(96-146-60-64-153(409)65-61-146)253(452)352-166(50-27-32-83-301)250(449)389-226(139(10)402)280(479)361-173(71-76-220(424)425)247(446)347-161(51-33-84-327-291(312)313)236(435)336-117-217(421)344-196/h19-22,42-45,60-67,111-115,131-145,157,160-206,224-232,333-334,399-410H,18,23-41,46-59,68-110,116-130,297-302H2,1-17H3,(H2,303,411)(H2,304,412)(H2,305,413)(H2,306,414)(H2,307,415)(H2,308,416)(H2,309,417)(H2,310,418)(H2,311,419)(H,324,339)(H,325,340)(H,326,341)(H,335,436)(H,336,435)(H,337,434)(H,338,437)(H,342,466)(H,343,420)(H,344,421)(H,345,422)(H,346,440)(H,347,446)(H,348,456)(H,349,439)(H,350,438)(H,351,453)(H,352,452)(H,353,454)(H,354,467)(H,355,459)(H,356,455)(H,357,445)(H,358,477)(H,359,480)(H,360,478)(H,361,479)(H,362,432)(H,363,433)(H,364,447)(H,365,469)(H,366,441)(H,367,442)(H,368,451)(H,369,464)(H,370,470)(H,371,457)(H,372,465)(H,373,471)(H,374,443)(H,375,468)(H,376,481)(H,377,460)(H,378,448)(H,379,472)(H,380,482)(H,381,444)(H,382,458)(H,383,461)(H,384,462)(H,385,463)(H,386,473)(H,387,423)(H,388,483)(H,389,449)(H,390,450)(H,391,474)(H,392,475)(H,393,476)(H,394,485)(H,395,484)(H,424,425)(H,426,427)(H,428,429)(H,430,431)(H,489,490)(H4,312,313,327)(H4,314,315,328)(H4,316,317,329)(H4,318,319,330)(H4,320,321,331)(H4,322,323,332)/t137-,138-,139+,140+,141+,142+,143+,144+,145+,157-,160-,161-,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-,206-,224-,225-,226-,227-,228-,229-,230-,231-,232-/m0/s1

InChIKey

IGCYAQHHQDSJPO-WHVIDKPESA-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](CSSC[C@@H](C(=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)NCC(=O)N1)CCCCN)CCCCN)C(C)C)[C@@H](C)O)NC(=O)CNC(=O)[C@@H]3CSSC[C@H]4C(=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](C(=O)N[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)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N5CCC[C@H]5C(=O)N6CCC[C@H]6C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N4)CCCNC(=N)N)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)CCC(=O)N)C)CO)CCSC)CCC(=O)N)CC(=O)N)Cc7cnc[nH]7)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(C)C)N)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](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=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)NCC(=O)N3)CCCNC(=N)N)CCC(=O)O)[C@@H](C)O)CCCCN)Cc8ccc(cc8)O)CCCNC(=N)N)Cc9cnc[nH]9)CC(=O)O)CCCNC(=N)N)Cc1c[nH]c2c1cccc2)CCCNC(=N)N)CCCCN)CCCCN)Cc1ccc(cc1)O)CC(=O)N)[C@@H](C)O)CCC(=O)O)Cc1c[nH]c2c1cccc2)CCCNC(=N)N)CO)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)[C@@H](C)O)CO)CC(=O)O)CC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)O)Cc1cnc[nH]1)CC(C)C)CCC(=O)N