General Information of the Compound
| Compound ID |
CP0900163
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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)-29-(2-amino-2-oxoethyl)-92-(2-((S)-2-amino-3-(1H-imidazol-5-yl)propanamido)acetamido)-17-(3-amino-3-oxopropyl)-11,50-bis(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-44,47,68-trimethyl-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 |
C161H251N43O52
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| Molecular Weight |
3621.028
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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](CCCCN)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](CC(N)=O)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/C161H251N43O52/c1-21-78(11)124(153(248)185-98(47-49-114(165)211)141(236)203-128(85(18)208)157(252)184-96(45-34-36-52-163)140(235)198-127(81(14)24-4)156(251)204-129(86(19)209)158(253)195-110(160(255)256)65-123(224)225)199-148(243)102(56-77(9)10)187-145(240)105(59-90-66-171-94-43-32-31-42-92(90)94)190-146(241)106(61-115(166)212)194-154(249)125(79(12)22-2)200-149(244)104(58-89-40-29-26-30-41-89)188-147(242)109(64-122(222)223)192-138(233)97(46-37-53-170-161(167)168)182-132(227)83(16)176-131(226)82(15)177-137(232)95(44-33-35-51-162)179-116(213)69-174-136(231)108(63-121(220)221)191-143(238)101(55-76(7)8)193-155(250)126(80(13)23-3)201-159(254)130(87(20)210)202-133(228)84(17)178-142(237)100(54-75(5)6)186-139(234)99(48-50-119(216)217)183-151(246)112(72-206)197-152(247)113(73-207)196-144(239)103(57-88-38-27-25-28-39-88)189-150(245)111(71-205)181-118(215)70-173-135(230)107(62-120(218)219)180-117(214)68-172-134(229)93(164)60-91-67-169-74-175-91/h25-32,38-43,66-67,74-87,93,95-113,124-130,171,205-210H,21-24,33-37,44-65,68-73,162-164H2,1-20H3,(H2,165,211)(H2,166,212)(H,169,175)(H,172,229)(H,173,230)(H,174,231)(H,176,226)(H,177,232)(H,178,237)(H,179,213)(H,180,214)(H,181,215)(H,182,227)(H,183,246)(H,184,252)(H,185,248)(H,186,234)(H,187,240)(H,188,242)(H,189,245)(H,190,241)(H,191,238)(H,192,233)(H,193,250)(H,194,249)(H,195,253)(H,196,239)(H,197,247)(H,198,235)(H,199,243)(H,200,244)(H,201,254)(H,202,228)(H,203,236)(H,204,251)(H,216,217)(H,218,219)(H,220,221)(H,222,223)(H,224,225)(H,255,256)(H4,167,168,170)/t78-,79-,80-,81-,82-,83-,84-,85+,86+,87+,93-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,124-,125-,126-,127-,128-,129-,130-/m0/s1
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| InChIKey |
DRRUMSQLSCDYHK-CHNPFWCNSA-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