Adociavirin

Structural Information

Molecular Formula

C₁₉₉H₃₁₅N₅₃O₆₉S₂

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CS)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)CNC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CO)N

InChI

InChI=1S/C199H315N53O69S2/c1-24-96(15)154(247-187(310)134(89-255)243-180(303)128(80-140(206)261)240-191(314)153(95(13)14)246-184(307)123(74-104-41-30-28-31-42-104)238-194(317)157(99(18)27-4)249-173(296)113(54-59-143(264)265)218-141(262)85-213-163(286)125(77-137(203)258)229-162(285)108(202)87-253)189(312)214-86-142(263)219-126(78-138(204)259)178(301)232-120(72-92(7)8)175(298)225-115(56-61-145(268)269)168(291)220-110(46-35-37-66-201)172(295)248-156(98(17)26-3)193(316)239-124(75-105-43-32-29-33-44-105)185(308)250-155(97(16)25-2)192(315)216-100(19)159(282)242-133(88-254)186(309)227-118(64-70-323-23)171(294)234-130(82-149(276)277)182(305)236-131(83-150(278)279)183(306)244-135(90-322)196(319)252-69-40-49-136(252)188(311)237-127(79-139(205)260)179(302)235-129(81-148(274)275)181(304)223-109(45-34-36-65-200)165(288)221-111(47-38-67-211-198(207)208)166(289)222-112(48-39-68-212-199(209)210)167(290)230-121(73-93(9)10)176(299)233-122(76-106-50-52-107(257)53-51-106)177(300)231-119(71-91(5)6)174(297)226-116(57-62-146(270)271)169(292)224-114(55-60-144(266)267)164(287)215-101(20)161(284)251-158(103(22)256)195(318)217-102(21)160(283)245-152(94(11)12)190(313)228-117(58-63-147(272)273)170(293)241-132(197(320)321)84-151(280)281/h28-33,41-44,50-53,91-103,108-136,152-158,253-257,322H,24-27,34-40,45-49,54-90,200-202H2,1-23H3,(H2,203,258)(H2,204,259)(H2,205,260)(H2,206,261)(H,213,286)(H,214,312)(H,215,287)(H,216,315)(H,217,318)(H,218,262)(H,219,263)(H,220,291)(H,221,288)(H,222,289)(H,223,304)(H,224,292)(H,225,298)(H,226,297)(H,227,309)(H,228,313)(H,229,285)(H,230,290)(H,231,300)(H,232,301)(H,233,299)(H,234,294)(H,235,302)(H,236,305)(H,237,311)(H,238,317)(H,239,316)(H,240,314)(H,241,293)(H,242,282)(H,243,303)(H,244,306)(H,245,283)(H,246,307)(H,247,310)(H,248,295)(H,249,296)(H,250,308)(H,251,284)(H,264,265)(H,266,267)(H,268,269)(H,270,271)(H,272,273)(H,274,275)(H,276,277)(H,278,279)(H,280,281)(H,320,321)(H4,207,208,211)(H4,209,210,212)/t96-,97-,98-,99-,100-,101-,102-,103+,108-,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-,136-,152-,153-,154-,155-,156-,157-,158-/m0/s1

InChIKey

CYBZXOLOECPZDB-SPJZGJFZSA-N

Compound name

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

Related CIDs

• CID 16197460