General Information of the Compound
| Compound ID |
CP0453778
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| Compound Name |
(4S)-5-[[2-[[(2S,3R)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(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-[[(2R)-1-amino-4-(diaminomethylideneamino)-1-oxobutan-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]-4-carboxy-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]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-[[(2S)-2-[[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]propanoyl]amino]-5-oxopentanoic acid
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| Structure |
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| Formula |
C151H226N38O49
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| Molecular Weight |
3357.686
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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(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=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)[C@H](C)N[C@@H](Cc1cnc[nH]1)C(O)=O)[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](CCNC(N)=N)C(N)=O
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| InChI |
InChI=1S/C151H226N38O49/c1-17-76(10)120(147(234)166-80(14)127(214)175-104(61-86-64-159-90-35-25-24-34-89(86)90)137(224)177-100(57-73(4)5)138(225)186-118(74(6)7)145(232)174-92(36-26-28-53-152)128(215)160-66-110(196)167-91(123(154)210)52-55-158-151(155)156)188-139(226)102(58-83-30-20-18-21-31-83)178-134(221)98(46-51-116(206)207)171-131(218)93(37-27-29-54-153)168-126(213)79(13)164-124(211)78(12)165-130(217)95(43-48-113(200)201)170-132(219)96(44-49-114(202)203)172-133(220)97(45-50-115(204)205)173-135(222)99(56-72(2)3)176-136(223)101(60-85-38-40-88(195)41-39-85)179-142(229)107(68-190)182-144(231)109(70-192)183-146(233)119(75(8)9)187-141(228)105(63-117(208)209)180-143(230)108(69-191)184-149(236)122(82(16)194)189-140(227)103(59-84-32-22-19-23-33-84)181-148(235)121(81(15)193)185-111(197)67-161-129(216)94(42-47-112(198)199)169-125(212)77(11)163-106(150(237)238)62-87-65-157-71-162-87/h18-25,30-35,38-41,64-65,71-82,91-109,118-122,159,163,190-195H,17,26-29,36-37,42-63,66-70,152-153H2,1-16H3,(H2,154,210)(H,157,162)(H,160,215)(H,161,216)(H,164,211)(H,165,217)(H,166,234)(H,167,196)(H,168,213)(H,169,212)(H,170,219)(H,171,218)(H,172,220)(H,173,222)(H,174,232)(H,175,214)(H,176,223)(H,177,224)(H,178,221)(H,179,229)(H,180,230)(H,181,235)(H,182,231)(H,183,233)(H,184,236)(H,185,197)(H,186,225)(H,187,228)(H,188,226)(H,189,227)(H,198,199)(H,200,201)(H,202,203)(H,204,205)(H,206,207)(H,208,209)(H,237,238)(H4,155,156,158)/t76-,77-,78-,79-,80-,81+,82-,91+,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,118-,119-,120-,121-,122-/m0/s1
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| InChIKey |
FQOYDCHULYDMKC-OVFGYUEPSA-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: PT01473, Glucagon receptor
Protein ID: PT01356, Glucagon-like peptide 1 receptor