Ac-nnllraiaqqhllqltvwgiaalqariaaveaylqqq-conh2

Structural Information

Molecular Formula

C₁₈₉H₃₀₉N₅₅O₅₂

SMILES

CC[C@H](C)[C@@H](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](CCC(=O)N)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](C)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](C)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)N)C(=O)N)NC(=O)CNC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC4=CN=CN4)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)C

InChI

InChI=1S/C189H309N55O52/c1-37-93(22)147(184(293)216-97(26)153(262)209-100(29)158(267)228-124(69-85(6)7)172(281)224-117(53-60-136(191)249)164(273)211-101(30)156(265)220-116(47-43-67-204-189(200)201)170(279)243-148(94(23)38-2)185(294)217-98(27)154(263)210-104(33)160(269)240-145(91(18)19)182(291)226-121(57-64-143(256)257)165(274)213-103(32)159(268)229-130(75-108-48-50-111(247)51-49-108)177(286)231-123(68-84(4)5)171(280)215-96(25)152(261)208-99(28)155(264)219-114(151(197)260)52-59-135(190)248)239-142(255)82-206-162(271)131(76-109-80-205-113-45-41-40-44-112(109)113)238-183(292)146(92(20)21)241-187(296)150(106(35)245)244-181(290)129(74-90(16)17)230-168(277)120(56-63-139(194)252)225-174(283)126(71-87(10)11)233-175(284)127(72-88(12)13)234-178(287)132(77-110-81-202-83-207-110)236-169(278)119(55-62-138(193)251)223-167(276)118(54-61-137(192)250)221-157(266)102(31)212-166(275)122(58-65-144(258)259)227-186(295)149(95(24)39-3)242-161(270)105(34)214-163(272)115(46-42-66-203-188(198)199)222-173(282)125(70-86(8)9)232-176(285)128(73-89(14)15)235-180(289)134(79-141(196)254)237-179(288)133(78-140(195)253)218-107(36)246/h40-41,44-45,48-51,80-81,83-106,114-134,145-150,205,245,247H,37-39,42-43,46-47,52-79,82H2,1-36H3,(H2,190,248)(H2,191,249)(H2,192,250)(H2,193,251)(H2,194,252)(H2,195,253)(H2,196,254)(H2,197,260)(H,202,207)(H,206,271)(H,208,261)(H,209,262)(H,210,263)(H,211,273)(H,212,275)(H,213,274)(H,214,272)(H,215,280)(H,216,293)(H,217,294)(H,218,246)(H,219,264)(H,220,265)(H,221,266)(H,222,282)(H,223,276)(H,224,281)(H,225,283)(H,226,291)(H,227,295)(H,228,267)(H,229,268)(H,230,277)(H,231,286)(H,232,285)(H,233,284)(H,234,287)(H,235,289)(H,236,278)(H,237,288)(H,238,292)(H,239,255)(H,240,269)(H,241,296)(H,242,270)(H,243,279)(H,244,290)(H,256,257)(H,258,259)(H4,198,199,203)(H4,200,201,204)/t93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106+,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,145-,146-,147-,148-,149-,150-/m0/s1

InChIKey

FYIWOFJMIDIMBX-HYYIIPGHSA-N

Compound name

(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[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)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-4-amino-4-oxobutanoyl]amino]-4-amino-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]propanoyl]amino]-5-amino-5-oxopentanoyl]amino]-5-amino-5-oxopentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-amino-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-5-amino-5-oxopentanoyl]amino]propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1,5-diamino-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16197396