General Information of the Compound
| Compound ID |
CP0315142
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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-[[2-[[(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)-5-carbamimidamido-1-[[2-[[(2S)-5-carbamimidamido-1-(carboxymethylamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-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-oxoethyl]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-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-4-yl)propanoyl]amino]propanoyl]amino]-5-oxopentanoic acid
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| Structure |
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| Formula |
C151H228N42O47
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| Molecular Weight |
3383.732
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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)CNC(=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)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[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](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(O)=O
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| InChI |
InChI=1S/C151H228N42O47/c1-17-76(10)120(147(238)171-80(14)126(217)179-104(59-86-62-162-91-35-25-24-34-89(86)91)137(228)181-100(55-73(4)5)138(229)190-118(74(6)7)145(236)178-93(38-29-53-161-151(157)158)129(220)163-64-110(201)172-92(37-28-52-160-150(155)156)128(219)166-67-117(212)213)192-139(230)102(56-83-30-20-18-21-31-83)182-134(225)98(46-50-115(208)209)177-133(224)94(36-26-27-51-152)174-124(215)78(12)168-123(214)77(11)170-132(223)97(43-47-109(154)200)173-111(202)65-164-131(222)96(45-49-114(206)207)176-135(226)99(54-72(2)3)180-136(227)101(58-85-39-41-88(199)42-40-85)183-142(233)106(68-194)186-144(235)108(70-196)187-146(237)119(75(8)9)191-141(232)105(61-116(210)211)184-143(234)107(69-195)188-149(240)122(82(16)198)193-140(231)103(57-84-32-22-19-23-33-84)185-148(239)121(81(15)197)189-112(203)66-165-130(221)95(44-48-113(204)205)175-125(216)79(13)169-127(218)90(153)60-87-63-159-71-167-87/h18-25,30-35,39-42,62-63,71-82,90,92-108,118-122,162,194-199H,17,26-29,36-38,43-61,64-70,152-153H2,1-16H3,(H2,154,200)(H,159,167)(H,163,220)(H,164,222)(H,165,221)(H,166,219)(H,168,214)(H,169,218)(H,170,223)(H,171,238)(H,172,201)(H,173,202)(H,174,215)(H,175,216)(H,176,226)(H,177,224)(H,178,236)(H,179,217)(H,180,227)(H,181,228)(H,182,225)(H,183,233)(H,184,234)(H,185,239)(H,186,235)(H,187,237)(H,188,240)(H,189,203)(H,190,229)(H,191,232)(H,192,230)(H,193,231)(H,204,205)(H,206,207)(H,208,209)(H,210,211)(H,212,213)(H4,155,156,160)(H4,157,158,161)/t76-,77-,78-,79-,80-,81+,82+,90-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,118-,119-,120-,121-,122-/m0/s1
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| InChIKey |
NRVJGPOPUQENQZ-VGRDSOSGSA-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