Viscotoxin

Structural Information

Molecular Formula

C₁₇₇H₂₈₉N₆₁O₆₂S₆

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)CNC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@@H]5CCCN5C(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)N

InChI

InChI=1S/C177H289N61O62S6/c1-11-82(4)136(231-153(278)101(55-120(183)250)219-149(274)96(31-22-48-193-177(189)190)209-131(261)70-206-165(290)139(86(8)244)235-170(295)141(88(10)246)233-154(279)102(56-121(184)251)220-162(287)117-33-24-50-237(117)172(297)114(80-305)228-161(286)113(79-304)227-156(281)108(74-242)224-143(268)93(181)26-14-17-43-178)166(291)222-99(52-89-35-39-91(247)40-36-89)151(276)218-100(54-119(182)249)146(271)203-68-133(263)213-111(77-302)159(284)215-95(30-21-47-192-176(187)188)145(270)202-62-126(256)196-59-123(253)194-58-122(252)195-60-124(254)197-64-128(258)208-94(29-20-46-191-175(185)186)144(269)201-63-127(257)199-66-130(260)212-110(76-301)158(283)207-85(7)142(267)200-61-125(255)198-65-129(259)210-105(71-239)147(272)204-69-134(264)214-112(78-303)160(285)216-97(27-15-18-44-179)150(275)230-138(84(6)13-3)168(293)232-137(83(5)12-2)167(292)226-106(72-240)148(273)205-67-132(262)211-107(73-241)157(282)234-140(87(9)245)169(294)229-115(81-306)173(298)238-51-25-34-118(238)164(289)225-109(75-243)155(280)223-104(53-90-37-41-92(248)42-38-90)171(296)236-49-23-32-116(236)163(288)221-103(57-135(265)266)152(277)217-98(174(299)300)28-16-19-45-180/h35-42,82-88,93-118,136-141,239-248,301-306H,11-34,43-81,178-181H2,1-10H3,(H2,182,249)(H2,183,250)(H2,184,251)(H,194,253)(H,195,252)(H,196,256)(H,197,254)(H,198,255)(H,199,257)(H,200,267)(H,201,269)(H,202,270)(H,203,271)(H,204,272)(H,205,273)(H,206,290)(H,207,283)(H,208,258)(H,209,261)(H,210,259)(H,211,262)(H,212,260)(H,213,263)(H,214,264)(H,215,284)(H,216,285)(H,217,277)(H,218,276)(H,219,274)(H,220,287)(H,221,288)(H,222,291)(H,223,280)(H,224,268)(H,225,289)(H,226,292)(H,227,281)(H,228,286)(H,229,294)(H,230,275)(H,231,278)(H,232,293)(H,233,279)(H,234,282)(H,235,295)(H,265,266)(H,299,300)(H4,185,186,191)(H4,187,188,192)(H4,189,190,193)/t82-,83-,84-,85-,86+,87+,88+,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,136-,137-,138-,139-,140-,141-/m0/s1

InChIKey

DMOXQGWDIIINKU-ZBXWUJIGSA-N

Compound name

(2S)-6-amino-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-1-[(2R)-2-[[(2S,3R)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-6-amino-2-[[(2R)-2-[[2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2R)-2-[[2-[[2-[[(2S)-2-[[2-[[2-[[2-[[2-[[2-[[(2S)-2-[[(2R)-2-[[2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S)-4-amino-2-[[(2S)-1-[(2R)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-hydroxypropanoyl]amino]-3-sulfanylpropanoyl]amino]-3-sulfanylpropanoyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-4-oxobutanoyl]amino]-3-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-oxobutanoyl]amino]acetyl]amino]-3-sulfanylpropanoyl]amino]-5-carbamimidamidopentanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]acetyl]amino]acetyl]amino]-3-sulfanylpropanoyl]amino]propanoyl]amino]acetyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-3-sulfanylpropanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-3-sulfanylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]amino]hexanoic acid

Related CIDs

• CID 16132340