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Substance Name: Neurotoxin c (Aipysurus laevis reduced)
RN: 58857-07-1
InChIKey: VUDSHGOXQXKKKU-FZGVCCMXSA-N

Molecular Formula

  • C272-H446-N88-O93-S9

Molecular Weight

  • 6725.6324
 
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Names and Synonyms

  • Neurotoxin c (Aipysurus laevis reduced)

Registry Numbers

CAS Registry Number

  • 58857-07-1

System Generated Number

  • 0058857071

Structure Descriptors

InChI

1S/C272H446N88O93S9/c1-19-124(9)205(257(440)321-145(47-25-32-78-275)221(404)327-158(90-122(5)6)232(415)317-153(66-73-198(385)386)225(408)342-179(117-460)251(434)345-175(113-456)247(430)314-147(49-27-34-80-277)229(412)354-210(130(15)367)261(444)335-165(97-192(288)379)237(420)318-154(67-74-199(387)388)226(409)341-176(114-457)249(432)332-163(95-190(286)377)238(421)337-169(269(452)453)98-193(289)380)348-196(383)107-304-253(436)182-55-40-86-358(182)266(449)156(51-29-36-82-279)325-256(439)204(123(7)8)350-231(414)152(64-71-187(283)374)320-255(438)184-57-42-88-360(184)268(451)181(119-462)308-195(382)105-303-218(401)173(111-454)307-194(381)104-301-216(399)141(52-37-83-297-270(290)291)309-223(406)155(68-75-200(389)390)323-258(441)206(125(10)20-2)351-227(410)149(54-39-85-299-272(294)295)322-259(442)207(127(12)364)349-197(384)106-302-217(400)142(53-38-84-298-271(292)293)310-235(418)161(93-136-103-296-120-305-136)329-241(424)167(100-202(393)394)333-220(403)144(46-24-31-77-274)313-234(417)160(92-135-102-300-140-44-22-21-43-138(135)140)334-260(443)209(129(14)366)353-228(411)146(48-26-33-79-276)311-219(402)143(45-23-30-76-273)312-233(416)159(91-134-58-60-137(371)61-59-134)328-248(431)177(115-458)344-245(428)172(110-363)339-239(422)164(96-191(287)378)330-240(423)166(99-201(391)392)326-214(397)126(11)306-246(429)174(112-455)343-242(425)168(101-203(395)396)336-262(445)211(131(16)368)356-265(448)213(133(18)370)357-264(447)212(132(17)369)355-230(413)148(50-28-35-81-278)319-254(437)183-56-41-87-359(183)267(450)157(65-72-188(284)375)324-243(426)170(108-361)340-244(427)171(109-362)338-224(407)151(63-70-186(282)373)315-222(405)150(62-69-185(281)372)316-236(419)162(94-189(285)376)331-250(433)178(116-459)346-252(435)180(118-461)347-263(446)208(128(13)365)352-215(398)139(280)89-121(3)4/h21-22,43-44,58-61,102-103,120-133,139,141-184,204-213,300,361-371,454-462H,19-20,23-42,45-57,62-101,104-119,273-280H2,1-18H3,(H2,281,372)(H2,282,373)(H2,283,374)(H2,284,375)(H2,285,376)(H2,286,377)(H2,287,378)(H2,288,379)(H2,289,380)(H,296,305)(H,301,399)(H,302,400)(H,303,401)(H,304,436)(H,306,429)(H,307,381)(H,308,382)(H,309,406)(H,310,418)(H,311,402)(H,312,416)(H,313,417)(H,314,430)(H,315,405)(H,316,419)(H,317,415)(H,318,420)(H,319,437)(H,320,438)(H,321,440)(H,322,442)(H,323,441)(H,324,426)(H,325,439)(H,326,397)(H,327,404)(H,328,431)(H,329,424)(H,330,423)(H,331,433)(H,332,432)(H,333,403)(H,334,443)(H,335,444)(H,336,445)(H,337,421)(H,338,407)(H,339,422)(H,340,427)(H,341,409)(H,342,408)(H,343,425)(H,344,428)(H,345,434)(H,346,435)(H,347,446)(H,348,383)(H,349,384)(H,350,414)(H,351,410)(H,352,398)(H,353,411)(H,354,412)(H,355,413)(H,356,448)(H,357,447)(H,385,386)(H,387,388)(H,389,390)(H,391,392)(H,393,394)(H,395,396)(H,452,453)(H4,290,291,297)(H4,292,293,298)(H4,294,295,299)/t124-,125-,126-,127+,128+,129+,130+,131+,132+,133+,139-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,156-,157-,158-,159-,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-,204-,205-,206-,207-,208-,209-,210-,211-,212-,213-/m0/s1

InChIKey

VUDSHGOXQXKKKU-FZGVCCMXSA-N

Smiles

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CS)NC(=O)CNC(=O)[C@H](CS)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc4c[nH]c5c4cccc5)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc6ccc(cc6)O)NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]7CCCN7C(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)N