T229

Structural Information

Molecular Formula

C₁₈₂H₂₈₇N₄₉O₆₄

SMILES

CC[C@H](C)[C@@H](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[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CC3=CN=CN3)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)C

InChI

InChI=1S/C182H287N49O64/c1-23-87(15)144(229-173(286)117(65-85(11)12)218-178(291)128(78-234)227-169(282)121(69-97-75-193-80-195-97)224-181(294)145(88(16)24-2)230-174(287)118(66-86(13)14)219-179(292)129(79-235)228-182(295)146(93(21)236)231-175(288)119(200-94(22)237)67-95-35-37-98(238)38-36-95)180(293)212-112(48-58-142(256)257)158(271)207-111(47-57-141(254)255)162(275)226-127(77-233)176(289)211-106(42-52-133(188)242)159(272)222-124(72-136(191)245)170(283)208-105(41-51-132(187)241)155(268)203-103(39-49-130(185)239)153(266)205-107(43-53-137(246)247)156(269)201-101(33-27-29-59-183)152(265)221-123(71-135(190)244)171(284)210-108(44-54-138(248)249)157(270)204-104(40-50-131(186)240)154(267)206-109(45-55-139(250)251)160(273)214-115(63-83(7)8)167(280)216-114(62-82(5)6)166(279)209-110(46-56-140(252)253)161(274)215-116(64-84(9)10)168(281)223-125(73-143(258)259)172(285)202-102(34-28-30-60-184)151(264)220-120(68-96-74-194-100-32-26-25-31-99(96)100)164(277)199-92(20)150(263)225-126(76-232)177(290)217-113(61-81(3)4)163(276)198-91(19)149(262)213-122(70-134(189)243)165(278)197-90(18)148(261)196-89(17)147(192)260/h25-26,31-32,35-38,74-75,80-93,101-129,144-146,194,232-236,238H,23-24,27-30,33-34,39-73,76-79,183-184H2,1-22H3,(H2,185,239)(H2,186,240)(H2,187,241)(H2,188,242)(H2,189,243)(H2,190,244)(H2,191,245)(H2,192,260)(H,193,195)(H,196,261)(H,197,278)(H,198,276)(H,199,277)(H,200,237)(H,201,269)(H,202,285)(H,203,268)(H,204,270)(H,205,266)(H,206,267)(H,207,271)(H,208,283)(H,209,279)(H,210,284)(H,211,289)(H,212,293)(H,213,262)(H,214,273)(H,215,274)(H,216,280)(H,217,290)(H,218,291)(H,219,292)(H,220,264)(H,221,265)(H,222,272)(H,223,281)(H,224,294)(H,225,263)(H,226,275)(H,227,282)(H,228,295)(H,229,286)(H,230,287)(H,231,288)(H,246,247)(H,248,249)(H,250,251)(H,252,253)(H,254,255)(H,256,257)(H,258,259)/t87-,88-,89-,90-,91-,92-,93+,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-,144-,145-,146-/m0/s1

InChIKey

JQXZFIVDSWAGCA-OIVQBYNOSA-N

Compound name

(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-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-acetamido-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-amino-5-oxopentanoyl]amino]-4-amino-4-oxobutanoyl]amino]-5-amino-5-oxopentanoyl]amino]-5-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-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]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 16133944