General Information of the Compound
| Compound ID |
CP0409572
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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)-2-[[2-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S,5S,8S,11S,19S)-11-[[2-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-2-oxoethyl]carbamoyl]-2-(1H-indol-3-ylmethyl)-5-(2-methylpropyl)-3,6,9,13,20-pentaoxo-8-propan-2-yl-1,4,7,10,14-pentazacycloicos-19-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]carbamoyl]pyrrolidin-1-yl]-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-5-yl)propanoyl]amino]propanoyl]amino]-5-oxopentanoic acid
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| Structure |
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| Formula |
C152H227N41O45
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| Molecular Weight |
3348.73
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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]1CCCN1C(=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)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@H]1CCCCNC(=O)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O
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| InChI |
InChI=1S/C152H227N41O45/c1-16-78(10)122(148(235)176-95-38-26-28-52-160-113(202)62-104(131(218)165-67-114(203)171-93(39-29-53-161-152(157)158)129(216)163-66-112(156)201)183-146(233)120(76(6)7)189-138(225)99(55-74(2)3)177-137(224)103(180-134(95)221)60-87-64-162-92-36-24-23-35-90(87)92)191-139(226)101(57-84-31-19-17-20-32-84)178-135(222)98(47-50-118(208)209)175-133(220)94(37-25-27-51-153)173-126(213)80(12)168-125(212)79(11)170-132(219)97(45-48-111(155)200)172-115(204)68-166-145(232)110-40-30-54-193(110)151(238)106(56-75(4)5)184-136(223)100(59-86-41-43-89(199)44-42-86)179-142(229)107(70-194)185-144(231)109(72-196)186-147(234)121(77(8)9)190-141(228)105(63-119(210)211)181-143(230)108(71-195)187-150(237)124(83(15)198)192-140(227)102(58-85-33-21-18-22-34-85)182-149(236)123(82(14)197)188-116(205)69-164-130(217)96(46-49-117(206)207)174-127(214)81(13)169-128(215)91(154)61-88-65-159-73-167-88/h17-24,31-36,41-44,64-65,73-83,91,93-110,120-124,162,194-199H,16,25-30,37-40,45-63,66-72,153-154H2,1-15H3,(H2,155,200)(H2,156,201)(H,159,167)(H,160,202)(H,163,216)(H,164,217)(H,165,218)(H,166,232)(H,168,212)(H,169,215)(H,170,219)(H,171,203)(H,172,204)(H,173,213)(H,174,214)(H,175,220)(H,176,235)(H,177,224)(H,178,222)(H,179,229)(H,180,221)(H,181,230)(H,182,236)(H,183,233)(H,184,223)(H,185,231)(H,186,234)(H,187,237)(H,188,205)(H,189,225)(H,190,228)(H,191,226)(H,192,227)(H,206,207)(H,208,209)(H,210,211)(H4,157,158,161)/t78-,79-,80-,81-,82+,83+,91-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,120-,121-,122-,123-,124-/m0/s1
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| InChIKey |
CMRCRTCJZXAUCX-JZVAPZSISA-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
Protein ID: PT06275, Glucagon-like peptide 1 receptor