Ac-ieaqqllqltvwgikqlqarilaverylkdqconh2

Structural Information

Molecular Formula

C₁₆₉H₂₈₁N₄₇O₄₆

SMILES

CC[C@H](C)[C@@H](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](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](CC1=CNC2=CC=CC=C21)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](CC3=CC=C(C=C3)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)NC(=O)C

InChI

InChI=1S/C169H281N47O46/c1-28-88(20)134(190-95(27)218)164(259)202-111(55-63-129(227)228)144(239)188-92(24)140(235)193-107(51-59-124(174)222)148(243)197-109(53-61-126(176)224)151(246)204-117(73-84(12)13)158(253)206-116(72-83(10)11)157(252)199-110(54-62-127(177)225)152(247)205-118(74-85(14)15)161(256)216-137(94(26)217)167(262)214-133(87(18)19)163(258)211-120(76-97-78-185-100-40-32-31-39-99(97)100)142(237)186-79-128(226)212-135(89(21)29-2)165(260)200-103(42-34-36-66-171)145(240)196-108(52-60-125(175)223)150(245)203-114(70-81(6)7)156(251)198-106(50-58-123(173)221)143(238)187-91(23)139(234)192-105(44-38-68-184-169(181)182)153(248)215-136(90(22)30-3)166(261)210-113(69-80(4)5)154(249)189-93(25)141(236)213-132(86(16)17)162(257)201-112(56-64-130(229)230)149(244)194-104(43-37-67-183-168(179)180)147(242)208-119(75-96-45-47-98(219)48-46-96)159(254)207-115(71-82(8)9)155(250)195-102(41-33-35-65-170)146(241)209-121(77-131(231)232)160(255)191-101(138(178)233)49-57-122(172)220/h31-32,39-40,45-48,78,80-94,101-121,132-137,185,217,219H,28-30,33-38,41-44,49-77,79,170-171H2,1-27H3,(H2,172,220)(H2,173,221)(H2,174,222)(H2,175,223)(H2,176,224)(H2,177,225)(H2,178,233)(H,186,237)(H,187,238)(H,188,239)(H,189,249)(H,190,218)(H,191,255)(H,192,234)(H,193,235)(H,194,244)(H,195,250)(H,196,240)(H,197,243)(H,198,251)(H,199,252)(H,200,260)(H,201,257)(H,202,259)(H,203,245)(H,204,246)(H,205,247)(H,206,253)(H,207,254)(H,208,242)(H,209,241)(H,210,261)(H,211,258)(H,212,226)(H,213,236)(H,214,262)(H,215,248)(H,216,256)(H,227,228)(H,229,230)(H,231,232)(H4,179,180,183)(H4,181,182,184)/t88-,89-,90-,91-,92-,93-,94+,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,132-,133-,134-,135-,136-,137-/m0/s1

InChIKey

GOBJMQKQIQWVOU-LRULTFNDSA-N

Compound name

(4S)-4-[[(2S,3S)-2-acetamido-3-methylpentanoyl]amino]-5-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S,3S)-1-[[(2S)-6-amino-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(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]-4-carboxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16197382