General Information of the Compound
| Compound ID |
CP0462532
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| Compound Name |
(4S)-5-[[2-[[(2S,3R)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[2-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-4-[[2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]amino]-5-oxopentanoic acid
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| Synonyms |
[Gly8, aib22]GLP-1(7-37)-NH2
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| Structure |
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| Formula |
C152H231N41O46
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| Molecular Weight |
3368.761
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| Canonical SMILES |
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)C(C)(C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)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(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O
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| InChI |
InChI=1S/C152H231N41O46/c1-18-78(10)121(147(236)170-81(13)126(215)177-105(61-87-64-162-92-37-26-25-36-90(87)92)136(225)179-101(57-75(4)5)137(226)189-119(76(6)7)145(234)176-94(38-27-29-53-153)129(218)165-68-113(203)171-93(40-31-55-161-151(158)159)128(217)163-66-111(157)201)191-138(227)103(58-84-32-21-19-22-33-84)180-133(222)97(47-51-116(207)208)174-132(221)95(39-28-30-54-154)173-125(214)80(12)168-124(213)79(11)169-131(220)98(45-49-110(156)200)187-150(239)152(16,17)193-144(233)99(48-52-117(209)210)175-134(223)100(56-74(2)3)178-135(224)102(60-86-41-43-89(199)44-42-86)181-141(230)107(70-194)184-143(232)109(72-196)185-146(235)120(77(8)9)190-140(229)106(63-118(211)212)182-142(231)108(71-195)186-149(238)123(83(15)198)192-139(228)104(59-85-34-23-20-24-35-85)183-148(237)122(82(14)197)188-114(204)69-166-130(219)96(46-50-115(205)206)172-112(202)67-164-127(216)91(155)62-88-65-160-73-167-88/h19-26,32-37,41-44,64-65,73-83,91,93-109,119-123,162,194-199H,18,27-31,38-40,45-63,66-72,153-155H2,1-17H3,(H2,156,200)(H2,157,201)(H,160,167)(H,163,217)(H,164,216)(H,165,218)(H,166,219)(H,168,213)(H,169,220)(H,170,236)(H,171,203)(H,172,202)(H,173,214)(H,174,221)(H,175,223)(H,176,234)(H,177,215)(H,178,224)(H,179,225)(H,180,222)(H,181,230)(H,182,231)(H,183,237)(H,184,232)(H,185,235)(H,186,238)(H,187,239)(H,188,204)(H,189,226)(H,190,229)(H,191,227)(H,192,228)(H,193,233)(H,205,206)(H,207,208)(H,209,210)(H,211,212)(H4,158,159,161)/t78-,79-,80-,81-,82+,83+,91-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,119-,120-,121-,122-,123-/m0/s1
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| InChIKey |
SNUALFGPRGVVPK-CCGBATFTSA-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
Clinical Information about the Compound