General Information of the Compound
| Compound ID |
CP0501848
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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-[[(3S,6S,9S,12S,21S)-21-[N-[(2S)-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-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]imino-1-hydroxyhexan-2-yl]imino-1-hydroxypropan-2-yl]imino-1-hydroxypropan-2-yl]imino-1,5-dihydroxy-5-iminopentan-2-yl]-C-hydroxycarbonimidoyl]-3-(2-carboxyethyl)-2,5,8,11,15-pentahydroxy-9-[(4-hydroxyphenyl)methyl]-6-(2-methylpropyl)-1,4,7,10,16-pentazacyclohenicosa-1,4,7,10,15-pentaen-12-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[Glu18-Lys22][Gly8]GLP-1(7-37)-NH2
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| Structure |
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| Formula |
C156H236N42O46
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| Molecular Weight |
3435.852
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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@@H]1CCCCNC(=O)CC[C@H](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)Cc2cnc[nH]2)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)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/C156H236N42O46/c1-16-81(10)126(153(242)175-84(13)131(220)185-110(65-90-68-167-95-37-24-23-36-93(90)95)144(233)187-106(61-78(4)5)145(234)195-124(79(6)7)151(240)184-97(38-25-28-56-157)134(223)170-72-118(208)176-96(41-31-59-166-156(162)163)133(222)168-70-115(161)205)197-146(235)108(62-87-32-19-17-20-33-87)189-141(230)104(50-55-122(214)215)181-137(226)98(39-26-29-57-158)178-130(219)83(12)173-129(218)82(11)174-136(225)101(46-51-114(160)204)180-138(227)99-40-27-30-58-165-116(206)52-47-102(140(229)188-107(64-89-42-44-92(203)45-43-89)143(232)186-105(60-77(2)3)142(231)182-103(139(228)179-99)49-54-121(212)213)183-149(238)112(74-199)192-152(241)125(80(8)9)196-148(237)111(67-123(216)217)190-150(239)113(75-200)193-155(244)128(86(15)202)198-147(236)109(63-88-34-21-18-22-35-88)191-154(243)127(85(14)201)194-119(209)73-171-135(224)100(48-53-120(210)211)177-117(207)71-169-132(221)94(159)66-91-69-164-76-172-91/h17-24,32-37,42-45,68-69,76-86,94,96-113,124-128,167,199-203H,16,25-31,38-41,46-67,70-75,157-159H2,1-15H3,(H2,160,204)(H2,161,205)(H,164,172)(H,165,206)(H,168,222)(H,169,221)(H,170,223)(H,171,224)(H,173,218)(H,174,225)(H,175,242)(H,176,208)(H,177,207)(H,178,219)(H,179,228)(H,180,227)(H,181,226)(H,182,231)(H,183,238)(H,184,240)(H,185,220)(H,186,232)(H,187,233)(H,188,229)(H,189,230)(H,190,239)(H,191,243)(H,192,241)(H,193,244)(H,194,209)(H,195,234)(H,196,237)(H,197,235)(H,198,236)(H,210,211)(H,212,213)(H,214,215)(H,216,217)(H4,162,163,166)/t81-,82-,83-,84-,85+,86+,94-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,124-,125-,126-,127-,128-/m0/s1
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| InChIKey |
GOARADSSYIPKJH-IJFSHCFJSA-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