Wegovy

C₁₈₇H₂₉₁N₄₅O₅₉ — CID 134612760

About Wegovy

Wegovy (PubChem CID 134612760) has the molecular formula C₁₈₇H₂₉₁N₄₅O₅₉ and a molecular weight of 4113.64 g/mol. Its IUPAC name is 18-[[(2S)-1-[2-[2-[2-[2-[2-[2-[[(5S)-5-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[2-[[(2S)-2-[[2-[[(2S)-2-amino-3-(1H-imidazol-4-yl)propanoyl]amino]-2-methylpropanoyl]amino]-4-carboxybutanoyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-4-carboxybutanoyl]amino]acetyl]amino]-5-oxopentanoyl]amino]propanoyl]amino]propanoyl]amino]-6-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-carbamimidamido-1-[[2-[[(2S)-5-carbamimidamido-1-(carboxymethylamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-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]-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-4-carboxy-1-oxobutan-2-yl]amino]-18-oxooctadecanoic acid.

Molecular Properties

• Compound Name: Wegovy
• PubChem CID: 134612760
• Molecular Formula: C₁₈₇H₂₉₁N₄₅O₅₉
• Molecular Weight: 4113.64 g/mol
• Exact Mass: 4111.12
• IUPAC Name: 18-[[(2S)-1-[2-[2-[2-[2-[2-[2-[[(5S)-5-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[2-[[(2S)-2-[[2-[[(2S)-2-amino-3-(1H-imidazol-4-yl)propanoyl]amino]-2-methylpropanoyl]amino]-4-carboxybutanoyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-4-carboxybutanoyl]amino]acetyl]amino]-5-oxopentanoyl]amino]propanoyl]amino]propanoyl]amino]-6-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-carbamimidamido-1-[[2-[[(2S)-5-carbamimidamido-1-(carboxymethylamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-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]-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-4-carboxy-1-oxobutan-2-yl]amino]-18-oxooctadecanoic acid
• SMILES: [H]/N=C(/N)NCCC[C@H](NC(=O)CNC(=O)[C@H](CCCN/C(N)=N/[H])NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)[C@H](CCC(=O)O)NC(=O)CCCCCCCCCCCCCCCCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)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](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(C)(C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)CC)C(C)C)C(=O)NCC(=O)O
• InChI: InChI=1S/C187H291N45O59/c1-18-105(10)154(181(284)208-108(13)159(262)216-133(86-114-89-200-119-50-40-39-49-117(114)119)171(274)218-129(82-102(4)5)172(275)228-152(103(6)7)179(282)215-121(53-44-72-199-186(192)193)163(266)201-91-140(241)210-120(52-43-71-198-185(190)191)162(265)204-94-151(258)259)230-173(276)131(83-111-45-33-31-34-46-111)219-168(271)127(64-69-149(254)255)214-167(270)122(51-41-42-70-195-143(244)98-290-79-77-288-75-73-196-144(245)99-291-80-78-289-76-74-197-161(264)123(61-66-146(248)249)209-139(240)54-37-29-27-25-23-21-19-20-22-24-26-28-30-38-55-145(246)247)212-158(261)107(12)206-157(260)106(11)207-166(269)126(60-65-138(189)239)211-141(242)92-202-164(267)124(62-67-147(250)251)213-169(272)128(81-101(2)3)217-170(273)130(85-113-56-58-116(238)59-57-113)220-176(279)135(95-233)223-178(281)137(97-235)224-180(283)153(104(8)9)229-175(278)134(88-150(256)257)221-177(280)136(96-234)225-183(286)156(110(15)237)231-174(277)132(84-112-47-35-32-36-48-112)222-182(285)155(109(14)236)227-142(243)93-203-165(268)125(63-68-148(252)253)226-184(287)187(16,17)232-160(263)118(188)87-115-90-194-100-205-115/h31-36,39-40,45-50,56-59,89-90,100-110,118,120-137,152-156,200,233-238H,18-30,37-38,41-44,51-55,60-88,91-99,188H2,1-17H3,(H2,189,239)(H,194,205)(H,195,244)(H,196,245)(H,197,264)(H,201,266)(H,202,267)(H,203,268)(H,204,265)(H,206,260)(H,207,269)(H,208,284)(H,209,240)(H,210,241)(H,211,242)(H,212,261)(H,213,272)(H,214,270)(H,215,282)(H,216,262)(H,217,273)(H,218,274)(H,219,271)(H,220,279)(H,221,280)(H,222,285)(H,223,281)(H,224,283)(H,225,286)(H,226,287)(H,227,243)(H,228,275)(H,229,278)(H,230,276)(H,231,277)(H,232,263)(H,246,247)(H,248,249)(H,250,251)(H,252,253)(H,254,255)(H,256,257)(H,258,259)(H4,190,191,198)(H4,192,193,199)/t105-,106-,107-,108-,109+,110+,118-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,152-,153-,154-,155-,156-/m0/s1
• InChIKey: YAADDGYZMCRWRC-CIIFZSTISA-N
• XLogP: -11.63
• TPSA: 1646.18 Ų
• H-Bond Donors: 57
• H-Bond Acceptors: 56
• Rotatable Bonds: 149
• Heavy Atoms: 291
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4113.64
LogP ≤ 5	-11.63
H-Bond Donors ≤ 5	57
H-Bond Acceptors ≤ 10	56

Frequently Asked Questions

What is the IUPAC name of Wegovy?

The IUPAC name of Wegovy (CID 134612760) is 18-[[(2S)-1-[2-[2-[2-[2-[2-[2-[[(5S)-5-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[2-[[(2S)-2-[[2-[[(2S)-2-amino-3-(1H-imidazol-4-yl)propanoyl]amino]-2-methylpropanoyl]amino]-4-carboxybutanoyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-4-carboxybutanoyl]amino]acetyl]amino]-5-oxopentanoyl]amino]propanoyl]amino]propanoyl]amino]-6-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-carbamimidamido-1-[[2-[[(2S)-5-carbamimidamido-1-(carboxymethylamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-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]-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-4-carboxy-1-oxobutan-2-yl]amino]-18-oxooctadecanoic acid.

What is the SMILES notation for Wegovy?

The canonical SMILES for Wegovy is [H]/N=C(/N)NCCC[C@H](NC(=O)CNC(=O)[C@H](CCCN/C(N)=N/[H])NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)[C@H](CCC(=O)O)NC(=O)CCCCCCCCCCCCCCCCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)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](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(C)(C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)CC)C(C)C)C(=O)NCC(=O)O.

What is the InChIKey of Wegovy?

The InChIKey is YAADDGYZMCRWRC-CIIFZSTISA-N. The full InChI is InChI=1S/C187H291N45O59/c1-18-105(10)154(181(284)208-108(13)159(262)216-133(86-114-89-200-119-50-40-39-49-117(114)119)171(274)218-129(82-102(4)5)172(275)228-152(103(6)7)179(282)215-121(53-44-72-199-186(192)193)163(266)201-91-140(241)210-120(52-43-71-198-185(190)191)162(265)204-94-151(258)259)230-173(276)131(83-111-45-33-31-34-46-111)219-168(271)127(64-69-149(254)255)214-167(270)122(51-41-42-70-195-143(244)98-290-79-77-288-75-73-196-144(245)99-291-80-78-289-76-74-197-161(264)123(61-66-146(248)249)209-139(240)54-37-29-27-25-23-21-19-20-22-24-26-28-30-38-55-145(246)247)212-158(261)107(12)206-157(260)106(11)207-166(269)126(60-65-138(189)239)211-141(242)92-202-164(267)124(62-67-147(250)251)213-169(272)128(81-101(2)3)217-170(273)130(85-113-56-58-116(238)59-57-113)220-176(279)135(95-233)223-178(281)137(97-235)224-180(283)153(104(8)9)229-175(278)134(88-150(256)257)221-177(280)136(96-234)225-183(286)156(110(15)237)231-174(277)132(84-112-47-35-32-36-48-112)222-182(285)155(109(14)236)227-142(243)93-203-165(268)125(63-68-148(252)253)226-184(287)187(16,17)232-160(263)118(188)87-115-90-194-100-205-115/h31-36,39-40,45-50,56-59,89-90,100-110,118,120-137,152-156,200,233-238H,18-30,37-38,41-44,51-55,60-88,91-99,188H2,1-17H3,(H2,189,239)(H,194,205)(H,195,244)(H,196,245)(H,197,264)(H,201,266)(H,202,267)(H,203,268)(H,204,265)(H,206,260)(H,207,269)(H,208,284)(H,209,240)(H,210,241)(H,211,242)(H,212,261)(H,213,272)(H,214,270)(H,215,282)(H,216,262)(H,217,273)(H,218,274)(H,219,271)(H,220,279)(H,221,280)(H,222,285)(H,223,281)(H,224,283)(H,225,286)(H,226,287)(H,227,243)(H,228,275)(H,229,278)(H,230,276)(H,231,277)(H,232,263)(H,246,247)(H,248,249)(H,250,251)(H,252,253)(H,254,255)(H,256,257)(H,258,259)(H4,190,191,198)(H4,192,193,199)/t105-,106-,107-,108-,109+,110+,118-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,152-,153-,154-,155-,156-/m0/s1.

What are the key properties of Wegovy?

Wegovy has a molecular weight of 4113.64 g/mol, XLogP of -11.63, 149 rotatable bonds, 57 hydrogen bond donors, and 56 hydrogen bond acceptors.

Where does this data come from?

All data for Wegovy is sourced from PubChem (CID 134612760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 134612760 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 5267 — approved-drug record (CC BY-SA 4.0)

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