Tocopherol-llqltvwgikqlqaril

Structural Information

Molecular Formula

C₁₂₈H₂₁₅N₂₅O₂₅

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)N)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](CC(C)C)C(=O)O)NC(=O)CNC(=O)[C@H](CC1=CNC2=CC=CC=C21)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)CCC(=O)OC3=C(C4=C(C[C@](CC4)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(=C3C)C)C

InChI

InChI=1S/C128H215N25O25/c1-27-77(19)107(123(173)144-89(44-31-32-57-129)114(164)141-92(47-50-101(131)156)115(165)145-95(60-70(7)8)119(169)142-91(46-49-100(130)155)113(163)138-82(24)111(161)140-90(45-36-58-135-127(133)134)117(167)152-108(78(20)28-2)124(174)149-99(126(176)177)63-73(13)14)150-104(159)67-137-112(162)98(64-84-66-136-88-43-30-29-42-86(84)88)148-122(172)106(74(15)16)151-125(175)109(83(25)154)153-121(171)97(62-72(11)12)146-116(166)93(48-51-102(132)157)143-120(170)96(61-71(9)10)147-118(168)94(59-69(5)6)139-103(158)52-53-105(160)178-110-80(22)79(21)87-65-128(26,56-54-85(87)81(110)23)55-35-41-76(18)40-34-39-75(17)38-33-37-68(3)4/h29-30,42-43,66,68-78,82-83,89-99,106-109,136,154H,27-28,31-41,44-65,67,129H2,1-26H3,(H2,130,155)(H2,131,156)(H2,132,157)(H,137,162)(H,138,163)(H,139,158)(H,140,161)(H,141,164)(H,142,169)(H,143,170)(H,144,173)(H,145,165)(H,146,166)(H,147,168)(H,148,172)(H,149,174)(H,150,159)(H,151,175)(H,152,167)(H,153,171)(H,176,177)(H4,133,134,135)/t75-,76-,77+,78+,82+,83-,89+,90+,91+,92+,93+,94+,95+,96+,97+,98+,99+,106+,107+,108+,109+,128-/m1/s1

InChIKey

DJKDBBDDMKDANB-FIQCDIBYSA-N

Compound name

(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-4-methyl-2-[[(2S)-4-methyl-2-[[4-oxo-4-[[(6R)-1,3,4,6-tetramethyl-6-[(4R,8R)-4,8,12-trimethyltridecyl]-7,8-dihydro-5H-naphthalen-2-yl]oxy]butanoyl]amino]pentanoyl]amino]pentanoyl]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]hexanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid

Related CIDs

• CID 71597122