Chembl437618

Structural Information

Molecular Formula

C₁₉₅H₃₀₇N₅₇O₆₅

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC4=CNC5=CC=CC=C54)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)N

InChI

InChI=1S/C195H307N57O65/c1-23-90(10)150(249-161(286)100(20)221-162(287)112(41-32-72-210-192(202)203)228-183(308)133(83-148(277)278)245-181(306)130(80-104-84-214-109-38-28-26-36-107(104)109)241-159(284)97(17)219-164(289)119(52-63-140(261)262)235-180(305)131(81-105-85-215-110-39-29-27-37-108(105)110)246-190(315)153(102(22)255)252-186(311)149(201)101(21)254)187(312)223-99(19)157(282)226-123(56-67-144(269)270)175(300)243-129(79-103-45-47-106(256)48-46-103)178(303)222-93(13)154(279)216-94(14)155(280)224-115(44-35-75-213-195(208)209)177(302)250-151(91(11)24-2)189(314)239-121(54-65-142(265)266)166(291)220-96(16)158(283)240-128(77-88(6)7)184(309)251-152(92(12)25-3)188(313)238-113(42-33-73-211-193(204)205)163(288)217-98(18)160(285)248-135(86-253)185(310)237-118(51-62-138(199)259)171(296)234-125(58-69-146(273)274)173(298)231-116(49-60-136(197)257)169(294)230-117(50-61-137(198)258)170(295)233-124(57-68-145(271)272)172(297)227-111(40-30-31-71-196)168(293)244-132(82-139(200)260)182(307)236-120(53-64-141(263)264)165(290)218-95(15)156(281)225-122(55-66-143(267)268)174(299)242-127(76-87(4)5)179(304)229-114(43-34-74-212-194(206)207)167(292)232-126(59-70-147(275)276)176(301)247-134(191(316)317)78-89(8)9/h26-29,36-39,45-48,84-85,87-102,111-135,149-153,214-215,253-256H,23-25,30-35,40-44,49-83,86,196,201H2,1-22H3,(H2,197,257)(H2,198,258)(H2,199,259)(H2,200,260)(H,216,279)(H,217,288)(H,218,290)(H,219,289)(H,220,291)(H,221,287)(H,222,303)(H,223,312)(H,224,280)(H,225,281)(H,226,282)(H,227,297)(H,228,308)(H,229,304)(H,230,294)(H,231,298)(H,232,292)(H,233,295)(H,234,296)(H,235,305)(H,236,307)(H,237,310)(H,238,313)(H,239,314)(H,240,283)(H,241,284)(H,242,299)(H,243,300)(H,244,293)(H,245,306)(H,246,315)(H,247,301)(H,248,285)(H,249,286)(H,250,302)(H,251,309)(H,252,311)(H,261,262)(H,263,264)(H,265,266)(H,267,268)(H,269,270)(H,271,272)(H,273,274)(H,275,276)(H,277,278)(H,316,317)(H4,202,203,210)(H4,204,205,211)(H4,206,207,212)(H4,208,209,213)/t90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101+,102+,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-,149-,150-,151-,152-,153-/m0/s1

InChIKey

JXUAWHYXBIPCPE-ALCYGZCNSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-carboxybutanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-carboxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]-4-carboxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]hexanoyl]amino]-4-oxobutanoyl]amino]-4-carboxybutanoyl]amino]propanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoic acid

Related CIDs

• CID 44450257