Wmewdreinnytslihslieesqnqqekneqell-conh2

Structural Information

Molecular Formula

C₁₈₄H₂₈₁N₅₁O₆₃S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC2=CN=CN2)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)N

InChI

InChI=1S/C184H281N51O63S/c1-17-87(12)146(180(295)216-112(46-57-143(259)260)159(274)210-111(45-56-142(257)258)163(278)229-127(79-236)177(292)215-106(40-51-133(190)244)160(275)224-123(72-135(192)246)169(284)213-105(39-50-132(189)243)156(271)206-103(37-48-130(187)241)154(269)208-107(41-52-138(249)250)157(272)204-101(31-24-25-60-185)153(268)223-122(71-134(191)245)170(285)214-108(42-53-139(251)252)158(273)207-104(38-49-131(188)242)155(270)209-109(43-54-140(253)254)161(276)218-116(64-84(6)7)166(281)217-115(150(195)265)63-83(4)5)233-174(289)117(65-85(8)9)219-178(293)128(80-237)230-168(283)121(70-94-78-198-82-202-94)227-181(296)148(89(14)19-3)234-175(290)118(66-86(10)11)220-179(294)129(81-238)231-183(298)149(90(15)239)235-176(291)119(67-91-33-35-95(240)36-34-91)221-171(286)124(73-136(193)247)225-172(287)125(74-137(194)248)228-182(297)147(88(13)18-2)232-165(280)113(47-58-144(261)262)212-152(267)102(32-26-61-199-184(196)197)205-173(288)126(75-145(263)264)226-167(282)120(69-93-77-201-100-30-23-21-28-97(93)100)222-162(277)110(44-55-141(255)256)211-164(279)114(59-62-299-16)203-151(266)98(186)68-92-76-200-99-29-22-20-27-96(92)99/h20-23,27-30,33-36,76-78,82-90,98,101-129,146-149,200-201,236-240H,17-19,24-26,31-32,37-75,79-81,185-186H2,1-16H3,(H2,187,241)(H2,188,242)(H2,189,243)(H2,190,244)(H2,191,245)(H2,192,246)(H2,193,247)(H2,194,248)(H2,195,265)(H,198,202)(H,203,266)(H,204,272)(H,205,288)(H,206,271)(H,207,273)(H,208,269)(H,209,270)(H,210,274)(H,211,279)(H,212,267)(H,213,284)(H,214,285)(H,215,292)(H,216,295)(H,217,281)(H,218,276)(H,219,293)(H,220,294)(H,221,286)(H,222,277)(H,223,268)(H,224,275)(H,225,287)(H,226,282)(H,227,296)(H,228,297)(H,229,278)(H,230,283)(H,231,298)(H,232,280)(H,233,289)(H,234,290)(H,235,291)(H,249,250)(H,251,252)(H,253,254)(H,255,256)(H,257,258)(H,259,260)(H,261,262)(H,263,264)(H4,196,197,199)/t87-,88-,89-,90+,98-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,146-,147-,148-,149-/m0/s1

InChIKey

HHMJZFRPDFGOIJ-MGEOPITOSA-N

Compound name

(4S)-4-[[(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-carboxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-carboxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoyl]amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-5-[[(2S)-6-amino-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 49768558