Chembl415790

Structural Information

Molecular Formula

C₁₉₅H₃₁₀N₅₆O₆₁

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](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(C)C)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/C195H310N56O61/c1-27-92(12)150(248-163(283)104(24)222-164(284)116(45-36-74-209-192(201)202)229-184(304)136(85-148(272)273)245-183(303)134(83-108-86-213-113-42-32-30-40-111(108)113)242-162(282)102(22)220-167(287)124(57-67-142(260)261)237-182(302)135(84-109-87-214-114-43-33-31-41-112(109)114)246-190(310)153(106(26)253)251-186(306)149(200)105(25)252)187(307)224-103(23)159(279)227-126(59-69-144(264)265)176(296)244-133(82-107-49-51-110(254)52-50-107)179(299)223-97(17)156(276)215-98(18)157(277)225-119(48-39-77-212-195(207)208)178(298)249-151(93(13)28-2)189(309)239-125(58-68-143(262)263)168(288)221-101(21)161(281)241-132(80-90(8)9)185(305)250-152(94(14)29-3)188(308)238-117(46-37-75-210-193(203)204)165(285)218-95(15)154(274)216-99(19)158(278)226-120(53-63-138(197)255)171(291)234-128(61-71-146(268)269)175(295)232-121(54-64-139(198)256)172(292)231-122(55-65-140(199)257)173(293)235-127(60-70-145(266)267)174(294)228-115(44-34-35-73-196)170(290)243-131(79-89(6)7)181(301)236-123(56-66-141(258)259)166(286)219-96(16)155(275)217-100(20)160(280)240-130(78-88(4)5)180(300)230-118(47-38-76-211-194(205)206)169(289)233-129(62-72-147(270)271)177(297)247-137(191(311)312)81-91(10)11/h30-33,40-43,49-52,86-106,115-137,149-153,213-214,252-254H,27-29,34-39,44-48,53-85,196,200H2,1-26H3,(H2,197,255)(H2,198,256)(H2,199,257)(H,215,276)(H,216,274)(H,217,275)(H,218,285)(H,219,286)(H,220,287)(H,221,288)(H,222,284)(H,223,299)(H,224,307)(H,225,277)(H,226,278)(H,227,279)(H,228,294)(H,229,304)(H,230,300)(H,231,292)(H,232,295)(H,233,289)(H,234,291)(H,235,293)(H,236,301)(H,237,302)(H,238,308)(H,239,309)(H,240,280)(H,241,281)(H,242,282)(H,243,290)(H,244,296)(H,245,303)(H,246,310)(H,247,297)(H,248,283)(H,249,298)(H,250,305)(H,251,306)(H,258,259)(H,260,261)(H,262,263)(H,264,265)(H,266,267)(H,268,269)(H,270,271)(H,272,273)(H,311,312)(H4,201,202,209)(H4,203,204,210)(H4,205,206,211)(H4,207,208,212)/t92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105+,106+,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,149-,150-,151-,152-,153-/m0/s1

InChIKey

ZLTOHWKHBIQBGM-UGEOKSPNSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-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]propanoyl]amino]-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-4-carboxybutanoyl]amino]propanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoic acid

Related CIDs

• CID 16134183