L,d-atd-qhllqltvwgikqlqarilaverylkdq-conh2

Structural Information

Molecular Formula

C₁₆₈H₂₈₂N₄₆O₄₀

SMILES

CCCCCCCCCCCCC(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](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)NCC(=O)N[C@@H]([C@@H](C)CC)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[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC4=CC=C(C=C4)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N)N

InChI

InChI=1S/C168H282N46O40/c1-25-28-29-30-31-32-33-34-35-36-46-104(171)142(230)192-112(58-64-128(174)219)149(237)206-124(80-101-83-182-85-187-101)159(247)204-120(76-90(12)13)157(245)202-119(75-89(10)11)156(244)197-114(60-66-130(176)221)151(239)201-121(77-91(14)15)161(249)214-138(98(24)215)166(254)212-135(93(18)19)163(251)209-123(79-100-82-185-105-47-38-37-45-103(100)105)143(231)186-84-131(222)210-136(94(20)26-2)164(252)198-108(49-40-42-69-170)145(233)195-113(59-65-129(175)220)150(238)200-117(73-87(6)7)155(243)196-111(57-63-127(173)218)144(232)188-96(22)140(228)191-110(51-44-71-184-168(180)181)152(240)213-137(95(21)27-3)165(253)208-116(72-86(4)5)153(241)189-97(23)141(229)211-134(92(16)17)162(250)199-115(61-67-132(223)224)148(236)193-109(50-43-70-183-167(178)179)147(235)205-122(78-99-52-54-102(216)55-53-99)158(246)203-118(74-88(8)9)154(242)194-107(48-39-41-68-169)146(234)207-125(81-133(225)226)160(248)190-106(139(177)227)56-62-126(172)217/h37-38,45,47,52-55,82-83,85-98,104,106-125,134-138,185,215-216H,25-36,39-44,46,48-51,56-81,84,169-171H2,1-24H3,(H2,172,217)(H2,173,218)(H2,174,219)(H2,175,220)(H2,176,221)(H2,177,227)(H,182,187)(H,186,231)(H,188,232)(H,189,241)(H,190,248)(H,191,228)(H,192,230)(H,193,236)(H,194,242)(H,195,233)(H,196,243)(H,197,244)(H,198,252)(H,199,250)(H,200,238)(H,201,239)(H,202,245)(H,203,246)(H,204,247)(H,205,235)(H,206,237)(H,207,234)(H,208,253)(H,209,251)(H,210,222)(H,211,229)(H,212,254)(H,213,240)(H,214,249)(H,223,224)(H,225,226)(H4,178,179,183)(H4,180,181,184)/t94-,95-,96-,97-,98+,104?,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,134-,135-,136-,137-,138-/m0/s1

InChIKey

QMQKQVMXYNLWGY-NRTSMBJBSA-N

Compound name

(4S)-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-(2-aminotetradecanoylamino)-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-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-3-carboxy-1-[[(2S)-1,5-diamino-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16197401