Ac-nnllraieaqqallaatvagiaalqariaaveaylaaq-conh2

Structural Information

Molecular Formula

C₁₇₃H₂₉₃N₅₁O₅₁

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)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](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](C)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)N)C(=O)N)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)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)NC(=O)C

InChI

InChI=1S/C173H293N51O51/c1-39-82(20)131(168(272)200-88(26)139(243)189-91(29)144(248)211-113(66-76(8)9)159(263)208-107(52-58-122(176)230)152(256)192-92(30)142(246)204-105(45-43-63-186-173(183)184)156(260)223-132(83(21)40-2)169(273)201-89(27)140(244)190-96(34)147(251)220-130(81(18)19)167(271)209-109(54-60-127(235)236)153(257)195-95(33)146(250)213-117(70-101-46-48-102(227)49-47-101)163(267)215-112(65-75(6)7)158(262)197-86(24)137(241)188-90(28)141(245)203-103(135(180)239)50-56-120(174)228)219-126(234)73-187-136(240)85(23)199-166(270)129(80(16)17)221-171(275)134(99(37)225)224-149(253)97(35)191-138(242)87(25)198-157(261)111(64-74(4)5)214-161(265)114(67-77(10)11)212-145(249)94(32)194-151(255)106(51-57-121(175)229)207-155(259)108(53-59-123(177)231)205-143(247)93(31)193-154(258)110(55-61-128(237)238)210-170(274)133(84(22)41-3)222-148(252)98(36)196-150(254)104(44-42-62-185-172(181)182)206-160(264)115(68-78(12)13)216-162(266)116(69-79(14)15)217-165(269)119(72-125(179)233)218-164(268)118(71-124(178)232)202-100(38)226/h46-49,74-99,103-119,129-134,225,227H,39-45,50-73H2,1-38H3,(H2,174,228)(H2,175,229)(H2,176,230)(H2,177,231)(H2,178,232)(H2,179,233)(H2,180,239)(H,187,240)(H,188,241)(H,189,243)(H,190,244)(H,191,242)(H,192,256)(H,193,258)(H,194,255)(H,195,257)(H,196,254)(H,197,262)(H,198,261)(H,199,270)(H,200,272)(H,201,273)(H,202,226)(H,203,245)(H,204,246)(H,205,247)(H,206,264)(H,207,259)(H,208,263)(H,209,271)(H,210,274)(H,211,248)(H,212,249)(H,213,250)(H,214,265)(H,215,267)(H,216,266)(H,217,269)(H,218,268)(H,219,234)(H,220,251)(H,221,275)(H,222,252)(H,223,260)(H,224,253)(H,235,236)(H,237,238)(H4,181,182,185)(H4,183,184,186)/t82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99+,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,129-,130-,131-,132-,133-,134-/m0/s1

InChIKey

MSKQHESTQRKQGR-TWOIUPPFSA-N

Compound name

(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-4-amino-4-oxobutanoyl]amino]-4-amino-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]propanoyl]amino]-5-amino-5-oxopentanoyl]amino]-5-amino-5-oxopentanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]propanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-5-amino-5-oxopentanoyl]amino]propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1,5-diamino-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16197397