General Information of the Compound
| Compound ID |
CP0540421
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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)-1-[(2S)-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]carbamoyl]pyrrolidin-1-yl]-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-[[(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 |
C155H231N41O47
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| Molecular Weight |
3420.793
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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]1CCCN1C(=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)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/C155H231N41O47/c1-16-79(10)124(151(240)178-96-38-26-28-54-163-115(205)64-107(133(222)168-69-116(206)173-94(39-29-55-164-155(160)161)131(220)166-68-114(159)204)187-149(238)122(77(6)7)192-141(230)102(58-76(4)5)181-140(229)106(184-136(96)225)62-88-66-165-93-36-24-23-35-91(88)93)194-142(231)104(59-85-31-19-17-20-32-85)182-137(226)99(47-51-119(210)211)176-135(224)95(37-25-27-53-156)174-128(217)81(12)170-127(216)80(11)172-134(223)98(45-49-113(158)203)177-148(237)112-40-30-56-196(112)154(243)100(48-52-120(212)213)179-138(227)101(57-75(2)3)180-139(228)103(61-87-41-43-90(202)44-42-87)183-145(234)109(71-197)188-147(236)111(73-199)189-150(239)123(78(8)9)193-144(233)108(65-121(214)215)185-146(235)110(72-198)190-153(242)126(84(15)201)195-143(232)105(60-86-33-21-18-22-34-86)186-152(241)125(83(14)200)191-117(207)70-167-132(221)97(46-50-118(208)209)175-129(218)82(13)171-130(219)92(157)63-89-67-162-74-169-89/h17-24,31-36,41-44,66-67,74-84,92,94-112,122-126,165,197-202H,16,25-30,37-40,45-65,68-73,156-157H2,1-15H3,(H2,158,203)(H2,159,204)(H,162,169)(H,163,205)(H,166,220)(H,167,221)(H,168,222)(H,170,216)(H,171,219)(H,172,223)(H,173,206)(H,174,217)(H,175,218)(H,176,224)(H,177,237)(H,178,240)(H,179,227)(H,180,228)(H,181,229)(H,182,226)(H,183,234)(H,184,225)(H,185,235)(H,186,241)(H,187,238)(H,188,236)(H,189,239)(H,190,242)(H,191,207)(H,192,230)(H,193,233)(H,194,231)(H,195,232)(H,208,209)(H,210,211)(H,212,213)(H,214,215)(H4,160,161,164)/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-,112-,122-,123-,124-,125-,126-/m0/s1
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| InChIKey |
AZZPSHJAAYDOGZ-XPBRTVITSA-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