Nnllraieaqqhllqltvwgikqlqarilave-conh2

Structural Information

Molecular Formula

C₁₆₆H₂₈₀N₅₀O₄₄

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)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N)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)[C@H](CC3=CN=CN3)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)N

InChI

InChI=1S/C166H280N50O44/c1-30-85(22)130(161(257)199-99(41-35-36-58-167)144(240)195-104(46-53-120(171)220)146(242)202-109(62-77(6)7)152(248)197-102(44-51-118(169)218)142(238)187-88(25)135(231)192-101(43-38-60-183-166(179)180)149(245)215-132(87(24)32-3)163(259)209-108(61-76(4)5)150(246)190-90(27)137(233)212-128(83(18)19)159(255)191-98(134(176)230)49-56-126(226)227)211-125(225)74-185-140(236)115(68-93-72-184-97-40-34-33-39-95(93)97)210-160(256)129(84(20)21)213-164(260)133(92(29)217)216-158(254)114(67-82(16)17)203-147(243)106(48-55-122(173)222)198-153(249)111(64-79(10)11)205-154(250)112(65-80(12)13)206-156(252)116(69-94-73-181-75-186-94)208-148(244)105(47-54-121(172)221)196-145(241)103(45-52-119(170)219)193-136(232)89(26)188-143(239)107(50-57-127(228)229)200-162(258)131(86(23)31-2)214-138(234)91(28)189-141(237)100(42-37-59-182-165(177)178)194-151(247)110(63-78(8)9)204-155(251)113(66-81(14)15)207-157(253)117(71-124(175)224)201-139(235)96(168)70-123(174)223/h33-34,39-40,72-73,75-92,96,98-117,128-133,184,217H,30-32,35-38,41-71,74,167-168H2,1-29H3,(H2,169,218)(H2,170,219)(H2,171,220)(H2,172,221)(H2,173,222)(H2,174,223)(H2,175,224)(H2,176,230)(H,181,186)(H,185,236)(H,187,238)(H,188,239)(H,189,237)(H,190,246)(H,191,255)(H,192,231)(H,193,232)(H,194,247)(H,195,240)(H,196,241)(H,197,248)(H,198,249)(H,199,257)(H,200,258)(H,201,235)(H,202,242)(H,203,243)(H,204,251)(H,205,250)(H,206,252)(H,207,253)(H,208,244)(H,209,259)(H,210,256)(H,211,225)(H,212,233)(H,213,260)(H,214,234)(H,215,245)(H,216,254)(H,226,227)(H,228,229)(H4,177,178,182)(H4,179,180,183)/t85-,86-,87-,88-,89-,90-,91-,92+,96-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,128-,129-,130-,131-,132-,133-/m0/s1

InChIKey

HCRXYYOIINKTNE-FIZBBWMESA-N

Compound name

(4S)-5-amino-4-[[(2S)-2-[[(2S)-2-[[(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)-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)-2,4-diamino-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]-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-methylpentanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16197386