General Information of the Compound
| Compound ID |
CP0465725
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4S)-5-[2-[(2S,3S)-1-[(2S)-1-[(2S,3S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[[(3S,6S,9S,12S,20S)-20-[N-[(2S)-1-[(2S)-1-[(2S,3S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-6-amino-1-[2-[(2S)-5-carbamimidamido-1-hydroxy-1-(2-hydroxy-2-iminoethyl)iminopentan-2-yl]imino-2-hydroxyethyl]imino-1-hydroxyhexan-2-yl]imino-1-hydroxy-3-methylbutan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]imino-1-hydroxypropan-2-yl]imino-1-hydroxy-3-methylpentan-2-yl]imino-1-hydroxy-3-phenylpropan-2-yl]imino-4-carboxy-1-hydroxybutan-2-yl]-C-hydroxycarbonimidoyl]-2,5,8,11,14-pentahydroxy-9-(3-hydroxy-3-iminopropyl)-3,6-dimethyl-1,4,7,10,15-pentazacycloicosa-1,4,7,10,14-pentaen-12-yl]imino]-4-carboxy-1-hydroxybutan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]imino-1,3-dihydroxypropan-2-yl]imino-1,3-dihydroxypropan-2-yl]imino-1-hydroxy-3-methylbutan-2-yl]imino-3-carboxy-1-hydroxypropan-2-yl]imino-1,3-dihydroxypropan-2-yl]imino-1,3-dihydroxybutan-2-yl]imino-1-hydroxy-3-phenylpropan-2-yl]imino-1,3-dihydroxybutan-2-yl]imino-2-hydroxyethyl]imino-4-[[2-[[(2S)-2-amino-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino]-1-hydroxyethylidene]amino]-5-hydroxypentanoic acid
Show/Hide
|
||||||||||||||||||
| Synonyms |
C[Asp22-Lys26][Gly8]GLP-1(7-37)-NH2
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C152H227N41O47
|
||||||||||||||||||
| Molecular Weight |
3380.728
|
||||||||||||||||||
| Canonical SMILES |
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)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](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H](N)Cc2c[nH]cn2)[C@H](C)O)[C@H](C)O)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1)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(N)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C152H227N41O47/c1-16-77(10)122(149(238)170-80(13)127(216)178-104(59-86-63-162-91-35-24-23-34-89(86)91)138(227)180-100(55-74(4)5)140(229)190-120(75(6)7)147(236)177-93(36-25-27-51-153)130(219)165-67-114(204)171-92(38-29-53-161-152(157)158)129(218)163-65-111(156)201)192-141(230)102(56-83-30-19-17-20-31-83)181-134(223)97(45-49-117(208)209)174-133(222)94-37-26-28-52-160-112(202)61-105(139(228)175-96(43-47-110(155)200)132(221)169-78(11)125(214)168-79(12)126(215)173-94)183-135(224)98(46-50-118(210)211)176-136(225)99(54-73(2)3)179-137(226)101(58-85-39-41-88(199)42-40-85)182-144(233)107(69-194)186-146(235)109(71-196)187-148(237)121(76(8)9)191-143(232)106(62-119(212)213)184-145(234)108(70-195)188-151(240)124(82(15)198)193-142(231)103(57-84-32-21-18-22-33-84)185-150(239)123(81(14)197)189-115(205)68-166-131(220)95(44-48-116(206)207)172-113(203)66-164-128(217)90(154)60-87-64-159-72-167-87/h17-24,30-35,39-42,63-64,72-82,90,92-109,120-124,162,194-199H,16,25-29,36-38,43-62,65-71,153-154H2,1-15H3,(H2,155,200)(H2,156,201)(H,159,167)(H,160,202)(H,163,218)(H,164,217)(H,165,219)(H,166,220)(H,168,214)(H,169,221)(H,170,238)(H,171,204)(H,172,203)(H,173,215)(H,174,222)(H,175,228)(H,176,225)(H,177,236)(H,178,216)(H,179,226)(H,180,227)(H,181,223)(H,182,233)(H,183,224)(H,184,234)(H,185,239)(H,186,235)(H,187,237)(H,188,240)(H,189,205)(H,190,229)(H,191,232)(H,192,230)(H,193,231)(H,206,207)(H,208,209)(H,210,211)(H,212,213)(H4,157,158,161)/t77-,78-,79-,80-,81-,82-,90-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,120-,121-,122-,123-,124-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XYYFVCKJZJFHBW-NINLSKNRSA-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