(2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-ol-13-yl)-rqllsgivqqqnnllraieaqqhllqk

Structural Information

Molecular Formula

C₁₆₅H₂₈₃N₄₅O₄₂

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)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](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCNC(=N)N)NCC(C)CCCC(C)CCCC(C)CCCC2(CCC3=C(O2)C(=C(C(=C3C)O)C)C)C

InChI

InChI=1S/C165H283N45O42/c1-28-91(20)133(208-130(221)78-184-139(227)120(79-211)207-155(243)116(72-86(13)14)201-152(240)113(69-83(7)8)198-147(235)105(48-56-124(170)215)190-140(228)100(43-35-65-181-163(176)177)183-76-90(19)40-33-39-88(17)37-32-38-89(18)41-34-62-165(27)63-61-99-95(24)135(224)93(22)94(23)136(99)252-165)161(249)209-132(87(15)16)159(247)195-108(51-59-127(173)218)145(233)191-103(46-54-122(168)213)144(232)193-107(50-58-126(172)217)149(237)205-118(74-128(174)219)158(246)206-119(75-129(175)220)157(245)203-115(71-85(11)12)154(242)199-111(67-81(3)4)150(238)189-101(44-36-66-182-164(178)179)141(229)187-97(26)138(226)210-134(92(21)29-2)160(248)196-109(52-60-131(222)223)142(230)186-96(25)137(225)188-102(45-53-121(167)212)143(231)192-106(49-57-125(171)216)148(236)204-117(73-98-77-180-80-185-98)156(244)202-114(70-84(9)10)153(241)200-112(68-82(5)6)151(239)194-104(47-55-123(169)214)146(234)197-110(162(250)251)42-30-31-64-166/h77,80-92,96-97,100-120,132-134,183,211,224H,28-76,78-79,166H2,1-27H3,(H2,167,212)(H2,168,213)(H2,169,214)(H2,170,215)(H2,171,216)(H2,172,217)(H2,173,218)(H2,174,219)(H2,175,220)(H,180,185)(H,184,227)(H,186,230)(H,187,229)(H,188,225)(H,189,238)(H,190,228)(H,191,233)(H,192,231)(H,193,232)(H,194,239)(H,195,247)(H,196,248)(H,197,234)(H,198,235)(H,199,242)(H,200,241)(H,201,240)(H,202,244)(H,203,245)(H,204,236)(H,205,237)(H,206,246)(H,207,243)(H,208,221)(H,209,249)(H,210,226)(H,222,223)(H,250,251)(H4,176,177,181)(H4,178,179,182)/t88?,89?,90?,91-,92-,96-,97-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,132-,133-,134-,165?/m0/s1

InChIKey

JGEQDMIMQGPIFC-HNBXSYJDSA-N

Compound name

(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S,3S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-5-carbamimidamido-2-[[13-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-2,6,10-trimethyltridecyl]amino]pentanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]propanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]hexanoic acid

Related CIDs

• CID 71591496