General Information of the Compound
| Compound ID |
CP0460258
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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-[2-[(2S)-1-[[(3S,6S,9S,12S,21S)-6-(4-aminobutyl)-21-[N-[(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]-C-hydroxycarbonimidoyl]-3-(2-carboxyethyl)-2,5,8,11,15-pentahydroxy-9-methyl-1,4,7,10,16-pentazacyclohenicosa-1,4,7,10,15-pentaen-12-yl]imino]-1,5-dihydroxy-5-iminopentan-2-yl]imino-2-hydroxyethyl]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[Glu24-Lys28][Gly8]GLP-1(7-37)-NH2
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| Structure |
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| Formula |
C149H230N42O47
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| Molecular Weight |
3361.726
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| Canonical SMILES |
CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCCNC(=O)CC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=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)Cc2cnc[nH]2)[C@@H](C)O)[C@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)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](CCCN=C(N)N)C(=O)NCC(N)=O
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| InChI |
InChI=1S/C149H230N42O47/c1-15-76(10)120(146(236)168-78(12)124(214)178-102(58-83-61-160-88-31-20-19-30-86(83)88)137(227)180-99(55-73(4)5)138(228)188-118(74(6)7)144(234)177-90(32-21-24-50-150)127(217)163-65-111(202)169-89(35-27-53-159-149(155)156)126(216)161-63-108(154)199)190-134(224)92-34-23-26-52-158-109(200)46-41-96(130(220)167-77(11)123(213)172-91(33-22-25-51-151)131(221)176-97(133(223)173-92)44-49-116(209)210)175-132(222)95(40-45-107(153)198)171-112(203)66-164-129(219)94(43-48-115(207)208)174-135(225)98(54-72(2)3)179-136(226)100(57-82-36-38-85(197)39-37-82)181-141(231)104(68-192)184-143(233)106(70-194)185-145(235)119(75(8)9)189-140(230)103(60-117(211)212)182-142(232)105(69-193)186-148(238)122(80(14)196)191-139(229)101(56-81-28-17-16-18-29-81)183-147(237)121(79(13)195)187-113(204)67-165-128(218)93(42-47-114(205)206)170-110(201)64-162-125(215)87(152)59-84-62-157-71-166-84/h16-20,28-31,36-39,61-62,71-80,87,89-106,118-122,160,192-197H,15,21-27,32-35,40-60,63-70,150-152H2,1-14H3,(H2,153,198)(H2,154,199)(H,157,166)(H,158,200)(H,161,216)(H,162,215)(H,163,217)(H,164,219)(H,165,218)(H,167,220)(H,168,236)(H,169,202)(H,170,201)(H,171,203)(H,172,213)(H,173,223)(H,174,225)(H,175,222)(H,176,221)(H,177,234)(H,178,214)(H,179,226)(H,180,227)(H,181,231)(H,182,232)(H,183,237)(H,184,233)(H,185,235)(H,186,238)(H,187,204)(H,188,228)(H,189,230)(H,190,224)(H,191,229)(H,205,206)(H,207,208)(H,209,210)(H,211,212)(H4,155,156,159)/t76-,77-,78-,79+,80-,87-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,118-,119-,120-,121-,122-/m0/s1
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| InChIKey |
KPGVUBCFEGSCNW-NNIIIAALSA-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