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Substance Name: Dalazatide [INN]
RN: 1081110-69-1
UNII: 6U0259J807
InChIKey: GORAHSAIYZMTHZ-LBFSFEBVSA-N

Molecular Formula

  • C184-H296-N57-O55-P-S7

Molecular Weight

  • 4442.1424
 
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Names and Synonyms

Results Name

  • Dalazatide [INN]

Name of Substance

  • Dalazatide

Synonyms

  • Dalazatide
  • Dalazatide [INN]
  • o-PHOSPHONO-L-Tyrosyl-2-(2-(2-aminoethoxy)ethoxy)acetyl(potassium channel toxin kappa-stichotoxin-shela stoichactis helianthus (caribbean sea anemone)) peptidamide
  • SHK-186
  • UNII-6U0259J807

Registry Numbers

CAS Registry Number

  • 1081110-69-1

FDA UNII

  • 6U0259J807

System Generated Number

  • 1081110691

Structure Descriptors

InChI

1S/C184H296N57O55PS7/c1-14-94(5)139-172(283)223-124(79-138(254)255)162(273)238-144(100(11)249)176(287)236-140(95(6)15-2)178(289)240-68-33-46-135(240)171(282)217-112(41-24-28-61-187)152(263)224-125(82-242)163(274)212-116(45-32-66-204-182(197)198)153(264)229-134-91-304-303-89-132-168(279)214-114(43-30-64-202-180(193)194)148(259)210-113(42-25-29-62-188)156(267)237-143(99(10)248)175(286)232-130(147(258)206-81-137(253)234-141(97(8)246)174(285)227-129(145(192)256)86-299-301-90-133(169(280)235-139)231-166(277)128(85-245)233-179(290)184(58-34-67-205-183(199)200,295-71-70-294-69-63-189)241(101(12)250)177(288)109(190)74-104-49-53-108(54-50-104)296-297(291,292)293)87-300-302-88-131(228-154(265)117(55-56-136(191)252)215-158(269)120(75-102-35-18-16-19-36-102)218-146(257)96(7)208-173(284)142(98(9)247)239-170(134)281)167(278)213-111(40-23-27-60-186)150(261)222-123(78-106-80-201-92-207-106)161(272)226-126(83-243)164(275)216-118(57-72-298-13)155(266)209-110(39-22-26-59-185)149(260)220-122(77-105-47-51-107(251)52-48-105)159(270)211-115(44-31-65-203-181(195)196)151(262)219-119(73-93(3)4)157(268)225-127(84-244)165(276)221-121(160(271)230-132)76-103-37-20-17-21-38-103/h16-21,35-38,47-54,80,92-100,109-135,139-144,242-249,251H,14-15,22-34,39-46,55-79,81-91,185-190H2,1-13H3,(H2,191,252)(H2,192,256)(H,201,207)(H,206,258)(H,208,284)(H,209,266)(H,210,259)(H,211,270)(H,212,274)(H,213,278)(H,214,279)(H,215,269)(H,216,275)(H,217,282)(H,218,257)(H,219,262)(H,220,260)(H,221,276)(H,222,261)(H,223,283)(H,224,263)(H,225,268)(H,226,272)(H,227,285)(H,228,265)(H,229,264)(H,230,271)(H,231,277)(H,232,286)(H,233,290)(H,234,253)(H,235,280)(H,236,287)(H,237,267)(H,238,273)(H,239,281)(H,254,255)(H4,193,194,202)(H4,195,196,203)(H4,197,198,204)(H4,199,200,205)(H2,291,292,293)/t94-,95-,96-,97+,98+,99+,100+,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130?,131-,132-,133-,134-,135-,139-,140-,141-,142-,143-,144-,184+/m0/s1

InChIKey

GORAHSAIYZMTHZ-LBFSFEBVSA-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)N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H]3CSSC[C@H]4C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NC(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)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N4)Cc5ccccc5)CO)CC(C)C)CCCNC(=N)N)Cc6ccc(cc6)O)CCCCN)CCSC)CO)Cc7c[nH]cn7)CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC3=O)[C@@H](C)O)C)Cc8ccccc8)CCC(=O)N)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N1)NC(=O)[C@H](CO)NC(=O)[C@](CCCNC(=N)N)(N(C(=O)C)C(=O)[C@H](Cc9ccc(cc9)OP(=O)(O)O)N)OCCOCCN)C(=O)N)[C@@H](C)O)[C@@H](C)O)CCCCN)CCCNC(=N)N)CCCNC(=N)N)CO)CCCCN)[C@@H](C)CC)[C@@H](C)O)CC(=O)O