General Information of the Compound
| Compound ID |
CP0503074
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 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)-6-amino-1-[[2-[[(2S)-5-carbamimidamido-1-(carboxymethylamino)-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-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-[[2-[[(2S)-2-amino-3-(1H-imidazol-4-yl)propanoyl]amino]acetyl]amino]-5-oxopentanoic acid
Show/Hide
|
||||||||||||||||||
| Synonyms |
[Gly8]GLP-1(7-37)-NH2
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C150H226N40O47
|
||||||||||||||||||
| Molecular Weight |
3341.691
|
||||||||||||||||||
| 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)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](CCCNC(N)=N)C(=O)NCC(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C150H226N40O47/c1-16-77(10)121(147(235)168-80(13)126(214)176-104(59-86-62-159-91-35-24-23-34-89(86)91)137(225)178-100(55-74(4)5)138(226)187-119(75(6)7)145(233)175-93(36-25-27-51-151)129(217)161-65-111(199)169-92(38-29-53-158-150(155)156)128(216)164-68-118(210)211)189-139(227)102(56-83-30-19-17-20-31-83)179-134(222)98(46-50-116(206)207)174-133(221)94(37-26-28-52-152)172-125(213)79(12)166-124(212)78(11)167-132(220)97(43-47-109(154)197)171-112(200)66-162-131(219)96(45-49-115(204)205)173-135(223)99(54-73(2)3)177-136(224)101(58-85-39-41-88(196)42-40-85)180-142(230)106(69-191)183-144(232)108(71-193)184-146(234)120(76(8)9)188-141(229)105(61-117(208)209)181-143(231)107(70-192)185-149(237)123(82(15)195)190-140(228)103(57-84-32-21-18-22-33-84)182-148(236)122(81(14)194)186-113(201)67-163-130(218)95(44-48-114(202)203)170-110(198)64-160-127(215)90(153)60-87-63-157-72-165-87/h17-24,30-35,39-42,62-63,72-82,90,92-108,119-123,159,191-196H,16,25-29,36-38,43-61,64-71,151-153H2,1-15H3,(H2,154,197)(H,157,165)(H,160,215)(H,161,217)(H,162,219)(H,163,218)(H,164,216)(H,166,212)(H,167,220)(H,168,235)(H,169,199)(H,170,198)(H,171,200)(H,172,213)(H,173,223)(H,174,221)(H,175,233)(H,176,214)(H,177,224)(H,178,225)(H,179,222)(H,180,230)(H,181,231)(H,182,236)(H,183,232)(H,184,234)(H,185,237)(H,186,201)(H,187,226)(H,188,229)(H,189,227)(H,190,228)(H,202,203)(H,204,205)(H,206,207)(H,208,209)(H,210,211)(H4,155,156,158)/t77-,78-,79-,80-,81+,82+,90-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,119-,120-,121-,122-,123-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XXYMTCGQDUSUOO-RHBBJNDVSA-N
|
||||||||||||||||||
| 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
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
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 |
|
|---|
Table of Molecular Bioactivities Related to the Compound
Clinical Information about the Compound