General Information of the Compound
| Compound ID |
CP0511462
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| 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-[[(2S,5S,8S,11S,21S)-11-[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]-3,6,9,17,22-pentahydroxy-2-(3-hydroxy-3-iminopropyl)-5,8-dimethyl-1,4,7,10,16-pentazacyclodocosa-3,6,9,16,22-pentaen-21-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
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| Synonyms |
C[hGlu22-Lys26][Gly8]GLP-1(7-37)-NH2
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| Structure |
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| Formula |
C154H231N41O47
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| Molecular Weight |
3408.782
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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]1CCCCNC(=O)CCC[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
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| InChI |
InChI=1S/C154H231N41O47/c1-16-79(10)124(151(240)172-82(13)129(218)181-107(62-88-65-164-93-36-24-23-35-91(88)93)141(230)183-103(58-76(4)5)142(231)192-122(77(6)7)149(238)180-95(37-25-27-54-155)132(221)167-69-116(206)173-94(40-30-56-163-154(159)160)131(220)165-67-113(158)203)194-143(232)105(59-85-31-19-17-20-32-85)184-138(227)101(49-53-120(212)213)178-135(224)96-38-26-28-55-162-114(204)41-29-39-97(136(225)177-99(46-50-112(157)202)134(223)171-80(11)127(216)170-81(12)128(217)175-96)176-137(226)100(48-52-119(210)211)179-139(228)102(57-75(2)3)182-140(229)104(61-87-42-44-90(201)45-43-87)185-146(235)109(71-196)188-148(237)111(73-198)189-150(239)123(78(8)9)193-145(234)108(64-121(214)215)186-147(236)110(72-197)190-153(242)126(84(15)200)195-144(233)106(60-86-33-21-18-22-34-86)187-152(241)125(83(14)199)191-117(207)70-168-133(222)98(47-51-118(208)209)174-115(205)68-166-130(219)92(156)63-89-66-161-74-169-89/h17-24,31-36,42-45,65-66,74-84,92,94-111,122-126,164,196-201H,16,25-30,37-41,46-64,67-73,155-156H2,1-15H3,(H2,157,202)(H2,158,203)(H,161,169)(H,162,204)(H,165,220)(H,166,219)(H,167,221)(H,168,222)(H,170,216)(H,171,223)(H,172,240)(H,173,206)(H,174,205)(H,175,217)(H,176,226)(H,177,225)(H,178,224)(H,179,228)(H,180,238)(H,181,218)(H,182,229)(H,183,230)(H,184,227)(H,185,235)(H,186,236)(H,187,241)(H,188,237)(H,189,239)(H,190,242)(H,191,207)(H,192,231)(H,193,234)(H,194,232)(H,195,233)(H,208,209)(H,210,211)(H,212,213)(H,214,215)(H4,159,160,163)/t79-,80-,81-,82-,83-,84-,92-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,122-,123-,124-,125-,126-/m0/s1
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| InChIKey |
FZOFJRYZQZCXIG-XPPJIRRWSA-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