Nh2-thr-thr-trp-glu-ala-trp-asp-arg-ala-ile-ala-glu-tyr-ala-ala-arg-ile-glu-ala-leu-ile-arg-ala-ala-gln-glu-gln-gln-glu-lys-asn-ala-ala-ala-leu-arg-glu-leu-cooh

Structural Information

Molecular Formula

C₁₈₈H₂₉₆N₅₄O₆₀

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(=O)N)C(=O)N[C@@H](C)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](C)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/C188H296N54O60/c1-27-86(10)144(239-159(275)100(24)213-160(276)112(44-36-70-201-186(195)196)223-178(294)130(80-142(262)263)236-177(293)127(77-104-81-204-109-41-32-30-39-107(104)109)233-158(274)98(22)211-162(278)118(54-63-136(250)251)228-176(292)128(78-105-82-205-110-42-33-31-40-108(105)110)237-184(300)147(102(26)244)242-180(296)143(194)101(25)243)181(297)217-99(23)155(271)220-120(56-65-138(254)255)170(286)234-126(76-103-47-49-106(245)50-48-103)174(290)214-91(15)151(267)207-93(17)152(268)218-114(46-38-72-203-188(199)200)172(288)240-145(87(11)28-2)183(299)230-119(55-64-137(252)253)163(279)212-97(21)157(273)232-125(74-84(6)7)179(295)241-146(88(12)29-3)182(298)229-113(45-37-71-202-187(197)198)161(277)210-90(14)149(265)208-94(18)153(269)219-115(51-60-132(190)246)165(281)226-123(59-68-141(260)261)169(285)225-116(52-61-133(191)247)166(282)224-117(53-62-134(192)248)167(283)227-122(58-67-140(258)259)168(284)222-111(43-34-35-69-189)164(280)235-129(79-135(193)249)175(291)215-92(16)150(266)206-89(13)148(264)209-95(19)156(272)231-124(73-83(4)5)173(289)216-96(20)154(270)221-121(57-66-139(256)257)171(287)238-131(185(301)302)75-85(8)9/h30-33,39-42,47-50,81-102,111-131,143-147,204-205,243-245H,27-29,34-38,43-46,51-80,189,194H2,1-26H3,(H2,190,246)(H2,191,247)(H2,192,248)(H2,193,249)(H,206,266)(H,207,267)(H,208,265)(H,209,264)(H,210,277)(H,211,278)(H,212,279)(H,213,276)(H,214,290)(H,215,291)(H,216,289)(H,217,297)(H,218,268)(H,219,269)(H,220,271)(H,221,270)(H,222,284)(H,223,294)(H,224,282)(H,225,285)(H,226,281)(H,227,283)(H,228,292)(H,229,298)(H,230,299)(H,231,272)(H,232,273)(H,233,274)(H,234,286)(H,235,280)(H,236,293)(H,237,300)(H,238,287)(H,239,275)(H,240,288)(H,241,295)(H,242,296)(H,250,251)(H,252,253)(H,254,255)(H,256,257)(H,258,259)(H,260,261)(H,262,263)(H,301,302)(H4,195,196,201)(H4,197,198,202)(H4,199,200,203)/t86-,87-,88-,89-,90-,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-,143-,144-,145-,146-,147-/m0/s1

InChIKey

RHRDGTKHKCJXQJ-BOYUXJRASA-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]propanoyl]amino]-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]hexanoyl]amino]-4-oxobutanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoic acid

Related CIDs

• CID 16134159