Schembl29383091

Structural Information

Molecular Formula

C₁₄₄H₂₅₈N₅₂O₃₀

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC1=CN=CN1)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)NCC(=O)N3CCC[C@H]3C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)CC)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)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)N

InChI

InChI=1S/C144H258N52O30/c1-22-79(15)110(134(222)174-83(19)115(149)203)191-128(216)97(47-37-61-168-144(160)161)184-136(224)112(81(17)24-3)194-137(225)113(82(18)25-4)193-127(215)96(46-36-60-167-143(158)159)182-130(218)100(65-76(9)10)188-133(221)109(78(13)14)190-138(226)114(85(21)197)195-131(219)103-48-38-62-196(103)107(202)72-172-119(207)101(66-86-49-51-88(198)52-50-86)187-124(212)91(40-26-29-53-145)178-122(210)92(41-27-30-54-146)183-132(220)108(77(11)12)189-106(201)71-171-120(208)102(67-87-68-162-73-173-87)185-116(204)84(20)175-135(223)111(80(16)23-2)192-126(214)93(42-28-31-55-147)179-121(209)90(43-33-57-164-140(152)153)176-104(199)70-170-118(206)98(63-74(5)6)186-125(213)95(45-35-59-166-142(156)157)180-123(211)94(44-34-58-165-141(154)155)181-129(217)99(64-75(7)8)177-105(200)69-169-117(205)89(148)39-32-56-163-139(150)151/h49-52,68,73-85,89-103,108-114,197-198H,22-48,53-67,69-72,145-148H2,1-21H3,(H2,149,203)(H,162,173)(H,169,205)(H,170,206)(H,171,208)(H,172,207)(H,174,222)(H,175,223)(H,176,199)(H,177,200)(H,178,210)(H,179,209)(H,180,211)(H,181,217)(H,182,218)(H,183,220)(H,184,224)(H,185,204)(H,186,213)(H,187,212)(H,188,221)(H,189,201)(H,190,226)(H,191,216)(H,192,214)(H,193,215)(H,194,225)(H,195,219)(H4,150,151,163)(H4,152,153,164)(H4,154,155,165)(H4,156,157,166)(H4,158,159,167)(H4,160,161,168)/t79-,80-,81-,82-,83-,84-,85+,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,108-,109-,110-,111-,112-,113-,114-/m0/s1

InChIKey

WTJDAUWOECZENF-OZWITMHCSA-N

Compound name

(2S)-1-[2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-amino-5-carbamimidamidopentanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]-N-[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]pyrrolidine-2-carboxamide

Related CIDs

• CID 16130512