General Information of the Compound
| Compound ID |
CP0908558
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| Compound Name |
(2S,5S,8S,11S,14S,17S,20S,23S,26S,29S,32S,35S,38S,41S,44S,47S,50S,56S,59S,62S,65S,68S,71S,74S,77S,80S,83S,86S,92S)-26-((1H-indol-3-yl)methyl)-92-(2-((S)-2-amino-3-(1H-imidazol-5-yl)propanamido)acetamido)-17,50-bis(3-amino-3-oxopropyl)-11-(4-aminobutyl)-35,83-dibenzyl-8,20,32,62-tetra-sec-butyl-74-(2-carboxyethyl)-38,56-bis(carboxymethyl)-41-(3-guanidinopropyl)-5,14,65-tris((R)-1-hydroxyethyl)-77,80,86-tris(hydroxymethyl)-23,59,71-triisobutyl-29,44,47,68-tetramethyl-4,7,10,13,16,19,22,25,28,31,34,37,40,43,46,49,52,55,58,61,64,67,70,73,76,79,82,85,88,91-triacontaoxo-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63,66,69,72,75,78,81,84,87,90-triacontaazatrinonacontane-1,2,93-tricarboxylic acid
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| Structure |
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| Formula |
C159H246N42O52
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| Molecular Weight |
3577.959
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| Canonical SMILES |
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC
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| InChI |
InChI=1S/C159H246N42O52/c1-22-76(11)122(151(245)176-82(17)131(225)184-104(58-89-64-168-93-42-33-32-41-91(89)93)144(238)186-101(55-75(9)10)146(240)197-123(77(12)23-2)152(246)183-97(46-49-113(163)209)140(234)200-126(84(19)205)155(249)182-94(43-34-35-51-160)139(233)195-125(79(14)25-4)154(248)201-127(85(20)206)156(250)192-108(158(252)253)63-121(221)222)196-147(241)103(57-88-39-30-27-31-40-88)187-145(239)107(62-120(219)220)190-137(231)95(44-36-52-167-159(164)165)180-130(224)81(16)173-129(223)80(15)174-136(230)96(45-48-112(162)208)177-114(210)67-171-135(229)106(61-119(217)218)189-142(236)100(54-74(7)8)191-153(247)124(78(13)24-3)198-157(251)128(86(21)207)199-132(226)83(18)175-141(235)99(53-73(5)6)185-138(232)98(47-50-117(213)214)181-149(243)110(70-203)194-150(244)111(71-204)193-143(237)102(56-87-37-28-26-29-38-87)188-148(242)109(69-202)179-116(212)68-170-134(228)105(60-118(215)216)178-115(211)66-169-133(227)92(161)59-90-65-166-72-172-90/h26-33,37-42,64-65,72-86,92,94-111,122-128,168,202-207H,22-25,34-36,43-63,66-71,160-161H2,1-21H3,(H2,162,208)(H2,163,209)(H,166,172)(H,169,227)(H,170,228)(H,171,229)(H,173,223)(H,174,230)(H,175,235)(H,176,245)(H,177,210)(H,178,211)(H,179,212)(H,180,224)(H,181,243)(H,182,249)(H,183,246)(H,184,225)(H,185,232)(H,186,238)(H,187,239)(H,188,242)(H,189,236)(H,190,231)(H,191,247)(H,192,250)(H,193,237)(H,194,244)(H,195,233)(H,196,241)(H,197,240)(H,198,251)(H,199,226)(H,200,234)(H,201,248)(H,213,214)(H,215,216)(H,217,218)(H,219,220)(H,221,222)(H,252,253)(H4,164,165,167)/t76-,77-,78-,79-,80-,81-,82-,83-,84+,85+,86+,92-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,122-,123-,124-,125-,126-,127-,128-/m0/s1
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| InChIKey |
YDYJUTFKUVBDJX-BBCXDUDGSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01356, Glucagon-like peptide 1 receptor
Protein ID: PT05688, Glucagon-like peptide 2 receptor