1319804-91-5

Structural Information

Molecular Formula

C₁₅₂H₂₆₅N₅₇O₃₅

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CC3=CC=C(C=C3)O)N

InChI

InChI=1S/C152H265N57O35/c1-12-82(7)117(142(241)205-110(76-88-47-53-91(212)54-48-88)138(237)199-100(36-18-23-65-157)128(227)197-105(43-30-72-182-151(172)173)133(232)203-111(77-89-49-55-92(213)56-50-89)139(238)208-118(83(8)13-2)141(240)202-108(144(243)244)58-60-115(217)218)207-121(220)85(10)186-124(223)97(33-15-20-62-154)190-120(219)84(9)187-140(239)116(81(5)6)206-136(235)106(44-31-73-183-152(174)175)200-137(236)109(74-80(3)4)204-143(242)119(86(11)210)209-135(234)95(32-14-19-61-153)188-114(216)79-185-123(222)94(37-24-66-176-145(160)161)191-129(228)101(39-26-68-178-147(164)165)195-131(230)103(41-28-70-180-149(168)169)198-134(233)107(57-59-112(159)214)201-132(231)104(42-29-71-181-150(170)171)196-130(229)102(40-27-69-179-148(166)167)194-127(226)99(35-17-22-64-156)193-126(225)98(34-16-21-63-155)192-125(224)96(38-25-67-177-146(162)163)189-113(215)78-184-122(221)93(158)75-87-45-51-90(211)52-46-87/h45-56,80-86,93-111,116-119,210-213H,12-44,57-79,153-158H2,1-11H3,(H2,159,214)(H,184,221)(H,185,222)(H,186,223)(H,187,239)(H,188,216)(H,189,215)(H,190,219)(H,191,228)(H,192,224)(H,193,225)(H,194,226)(H,195,230)(H,196,229)(H,197,227)(H,198,233)(H,199,237)(H,200,236)(H,201,231)(H,202,240)(H,203,232)(H,204,242)(H,205,241)(H,206,235)(H,207,220)(H,208,238)(H,209,234)(H,217,218)(H,243,244)(H4,160,161,176)(H4,162,163,177)(H4,164,165,178)(H4,166,167,179)(H4,168,169,180)(H4,170,171,181)(H4,172,173,182)(H4,174,175,183)/t82-,83-,84-,85-,86+,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,116-,117-,118-,119-/m0/s1

InChIKey

QTMGBJCPSWBHBI-SBNUQGJNSA-N

Compound name

(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-oxopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]acetyl]amino]hexanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]pentanedioic acid

Related CIDs

• CID 176419344