Chembl428455

Structural Information

Molecular Formula

C₁₉₄H₃₀₈N₅₆O₆₁

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](C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)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](C)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/C194H308N56O61/c1-27-91(12)149(247-162(282)103(24)221-163(283)115(45-36-72-208-191(200)201)228-183(303)135(84-147(271)272)244-181(301)132(81-107-85-212-112-42-32-30-40-110(107)112)240-161(281)101(22)219-166(286)121(55-64-140(257)258)234-180(300)133(82-108-86-213-113-43-33-31-41-111(108)113)245-189(309)152(105(26)252)250-185(305)148(199)104(25)251)186(306)223-102(23)158(278)226-124(58-67-143(263)264)173(293)242-131(80-106-49-51-109(253)52-50-106)177(297)222-96(17)155(275)214-97(18)156(276)224-118(48-39-75-211-194(206)207)176(296)248-150(92(13)28-2)188(308)237-123(57-66-142(261)262)167(287)220-100(21)160(280)239-130(78-89(8)9)184(304)249-151(93(14)29-3)187(307)236-116(46-37-73-209-192(202)203)164(284)217-94(15)153(273)215-98(19)157(277)225-119(53-62-137(196)254)170(290)232-126(60-69-145(267)268)174(294)241-129(77-88(6)7)179(299)233-120(54-63-138(197)255)171(291)231-125(59-68-144(265)266)172(292)227-114(44-34-35-71-195)169(289)243-134(83-139(198)256)182(302)235-122(56-65-141(259)260)165(285)218-95(16)154(274)216-99(20)159(279)238-128(76-87(4)5)178(298)229-117(47-38-74-210-193(204)205)168(288)230-127(61-70-146(269)270)175(295)246-136(190(310)311)79-90(10)11/h30-33,40-43,49-52,85-105,114-136,148-152,212-213,251-253H,27-29,34-39,44-48,53-84,195,199H2,1-26H3,(H2,196,254)(H2,197,255)(H2,198,256)(H,214,275)(H,215,273)(H,216,274)(H,217,284)(H,218,285)(H,219,286)(H,220,287)(H,221,283)(H,222,297)(H,223,306)(H,224,276)(H,225,277)(H,226,278)(H,227,292)(H,228,303)(H,229,298)(H,230,288)(H,231,291)(H,232,290)(H,233,299)(H,234,300)(H,235,302)(H,236,307)(H,237,308)(H,238,279)(H,239,280)(H,240,281)(H,241,294)(H,242,293)(H,243,289)(H,244,301)(H,245,309)(H,246,295)(H,247,282)(H,248,296)(H,249,304)(H,250,305)(H,257,258)(H,259,260)(H,261,262)(H,263,264)(H,265,266)(H,267,268)(H,269,270)(H,271,272)(H,310,311)(H4,200,201,208)(H4,202,203,209)(H4,204,205,210)(H4,206,207,211)/t91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104+,105+,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,148-,149-,150-,151-,152-/m0/s1

InChIKey

XHMVJFCZTOQZPU-NXDHZUSMSA-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)-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]propanoyl]amino]-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]hexanoyl]amino]-4-oxobutanoyl]amino]-4-carboxybutanoyl]amino]propanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoic acid

Related CIDs

• CID 16134182