(4S)-4-[[4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]-5-[2-[2-[[(2S)-2-[[(1S,3S,6S,8S,11S,13R,16S,18R,21S,23R,26S,28S,31S,33S,38R,40R,42R,44R,46R,48R)-25-[[(2S)-3-[2-[2-[(2S)-2-[[4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]-4-carboxybutanoyl]oxyethoxy]ethylamino]-2-(methylamino)-3-oxopropyl]sulfanylmethyl]-37,38,39,40,41,42,43,44,45,46,47,48,49-tridecahydroxy-10,15,20,30,35-pentakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methylsulfanylmethyl]-4-oxo-6-[2-(3-oxobutoxy)ethoxy]hexanoyl]amino]ethoxy]ethoxy]-5-oxopentanoic acid

C107H153N13O52S2 — CID 162158470

About (4S)-4-[[4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]-5-[2-[2-[[(2S)-2-[[(1S,3S,6S,8S,11S,13R,16S,18R,21S,23R,26S,28S,31S,33S,38R,40R,42R,44R,46R,48R)-25-[[(2S)-3-[2-[2-[(2S)-2-[[4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]-4-carboxybutanoyl]oxyethoxy]ethylamino]-2-(methylamino)-3-oxopropyl]sulfanylmethyl]-37,38,39,40,41,42,43,44,45,46,47,48,49-tridecahydroxy-10,15,20,30,35-pentakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methylsulfanylmethyl]-4-oxo-6-[2-(3-oxobutoxy)ethoxy]hexanoyl]amino]ethoxy]ethoxy]-5-oxopentanoic acid

(4S)-4-[[4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]-5-[2-[2-[[(2S)-2-[[(1S,3S,6S,8S,11S,13R,16S,18R,21S,23R,26S,28S,31S,33S,38R,40R,42R,44R,46R,48R)-25-[[(2S)-3-[2-[2-[(2S)-2-[[4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]-4-carboxybutanoyl]oxyethoxy]ethylamino]-2-(methylamino)-3-oxopropyl]sulfanylmethyl]-37,38,39,40,41,42,43,44,45,46,47,48,49-tridecahydroxy-10,15,20,30,35-pentakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methylsulfanylmethyl]-4-oxo-6-[2-(3-oxobutoxy)ethoxy]hexanoyl]amino]ethoxy]ethoxy]-5-oxopentanoic acid (PubChem CID 162158470) has the molecular formula C107H153N13O52S2 and a molecular weight of 2517.57 g/mol. Its IUPAC name is (4S)-4-[[4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]-5-[2-[2-[[(2S)-2-[[(1S,3S,6S,8S,11S,13R,16S,18R,21S,23R,26S,28S,31S,33S,38R,40R,42R,44R,46R,48R)-25-[[(2S)-3-[2-[2-[(2S)-2-[[4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]-4-carboxybutanoyl]oxyethoxy]ethylamino]-2-(methylamino)-3-oxopropyl]sulfanylmethyl]-37,38,39,40,41,42,43,44,45,46,47,48,49-tridecahydroxy-10,15,20,30,35-pentakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methylsulfanylmethyl]-4-oxo-6-[2-(3-oxobutoxy)ethoxy]hexanoyl]amino]ethoxy]ethoxy]-5-oxopentanoic acid.

Molecular Properties

• Compound Name: (4S)-4-[[4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]-5-[2-[2-[[(2S)-2-[[(1S,3S,6S,8S,11S,13R,16S,18R,21S,23R,26S,28S,31S,33S,38R,40R,42R,44R,46R,48R)-25-[[(2S)-3-[2-[2-[(2S)-2-[[4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]-4-carboxybutanoyl]oxyethoxy]ethylamino]-2-(methylamino)-3-oxopropyl]sulfanylmethyl]-37,38,39,40,41,42,43,44,45,46,47,48,49-tridecahydroxy-10,15,20,30,35-pentakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methylsulfanylmethyl]-4-oxo-6-[2-(3-oxobutoxy)ethoxy]hexanoyl]amino]ethoxy]ethoxy]-5-oxopentanoic acid
• PubChem CID: 162158470
• Molecular Formula: C107H153N13O52S2
• Molecular Weight: 2517.57 g/mol
• Exact Mass: 2515.92
• IUPAC Name: (4S)-4-[[4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]-5-[2-[2-[[(2S)-2-[[(1S,3S,6S,8S,11S,13R,16S,18R,21S,23R,26S,28S,31S,33S,38R,40R,42R,44R,46R,48R)-25-[[(2S)-3-[2-[2-[(2S)-2-[[4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]-4-carboxybutanoyl]oxyethoxy]ethylamino]-2-(methylamino)-3-oxopropyl]sulfanylmethyl]-37,38,39,40,41,42,43,44,45,46,47,48,49-tridecahydroxy-10,15,20,30,35-pentakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methylsulfanylmethyl]-4-oxo-6-[2-(3-oxobutoxy)ethoxy]hexanoyl]amino]ethoxy]ethoxy]-5-oxopentanoic acid
• SMILES: CN[C@H](CSCC1O[C@H]2O[C@@H]3C(CO)O[C@H](O[C@@H]4C(CO)O[C@H](O[C@@H]5C(CO)O[C@@H](O[C@@H]6C(CSCC(CC(=O)CCOCCOCCC(C)=O)C(=O)NCCOCCOC(=O)[C@H](CCC(=O)O)NC(=O)c7ccc(CCc8c[nH]c9nc(N)[nH]c(=O)c89)cc7)O[C@H](O[C@H]7CC(O)[C@@H](OC7CO)O[C@@H]7C(CO)O[C@@H](O[C@H]1[C@H](O)C2O)C(O)[C@H]7O)C(O)[C@H]6O)C(O)[C@H]5O)C(O)[C@H]4O)C(O)[C@H]3O)C(=O)NCCOCCOC(=O)[C@H](CCC(=O)O)NC(=O)c1ccc(CCc2c[nH]c3nc(N)[nH]c(=O)c23)cc1
• InChI: InChI=1S/C107H153N13O52S2/c1-46(126)19-23-153-27-28-154-24-20-54(127)33-53(91(145)111-21-25-155-29-31-157-97(151)55(15-17-67(129)130)115-92(146)49-9-3-47(4-10-49)7-13-51-35-113-89-69(51)95(149)119-106(108)117-89)42-173-44-65-87-75(137)77(139)100(165-65)159-59-34-58(128)99(160-60(59)37-121)167-83-61(38-122)161-103(78(140)71(83)133)172-88-66(166-105(82(144)76(88)138)170-86-64(41-125)163-102(80(142)73(86)135)168-84-62(39-123)162-101(79(141)72(84)134)169-85-63(40-124)164-104(171-87)81(143)74(85)136)45-174-43-57(110-2)94(148)112-22-26-156-30-32-158-98(152)56(16-18-68(131)132)116-93(147)50-11-5-48(6-12-50)8-14-52-36-114-90-70(52)96(150)120-107(109)118-90/h3-6,9-12,35-36,53,55-66,71-88,99-105,110,121-125,128,133-144H,7-8,13-34,37-45H2,1-2H3,(H,111,145)(H,112,148)(H,115,146)(H,116,147)(H,129,130)(H,131,132)(H4,108,113,117,119,149)(H4,109,114,118,120,150)/t53?,55-,56-,57+,58?,59-,60?,61?,62?,63?,64?,65?,66?,71+,72+,73+,74+,75+,76+,77?,78?,79?,80?,81?,82?,83+,84+,85+,86+,87+,88+,99-,100-,101+,102+,103-,104-,105-/m0/s1
• InChIKey: ZMDLISOYEJVVJP-VGNOGTIOSA-N
• XLogP: -11.61
• TPSA: 995.17 Ų
• H-Bond Donors: 31
• H-Bond Acceptors: 57
• Rotatable Bonds: 57
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2517.57
LogP ≤ 5	-11.61
H-Bond Donors ≤ 5	31
H-Bond Acceptors ≤ 10	57

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[[4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]-5-[2-[2-[[(2S)-2-[[(1S,3S,6S,8S,11S,13R,16S,18R,21S,23R,26S,28S,31S,33S,38R,40R,42R,44R,46R,48R)-25-[[(2S)-3-[2-[2-[(2S)-2-[[4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]-4-carboxybutanoyl]oxyethoxy]ethylamino]-2-(methylamino)-3-oxopropyl]sulfanylmethyl]-37,38,39,40,41,42,43,44,45,46,47,48,49-tridecahydroxy-10,15,20,30,35-pentakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methylsulfanylmethyl]-4-oxo-6-[2-(3-oxobutoxy)ethoxy]hexanoyl]amino]ethoxy]ethoxy]-5-oxopentanoic acid?

The IUPAC name of (4S)-4-[[4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]-5-[2-[2-[[(2S)-2-[[(1S,3S,6S,8S,11S,13R,16S,18R,21S,23R,26S,28S,31S,33S,38R,40R,42R,44R,46R,48R)-25-[[(2S)-3-[2-[2-[(2S)-2-[[4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]-4-carboxybutanoyl]oxyethoxy]ethylamino]-2-(methylamino)-3-oxopropyl]sulfanylmethyl]-37,38,39,40,41,42,43,44,45,46,47,48,49-tridecahydroxy-10,15,20,30,35-pentakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methylsulfanylmethyl]-4-oxo-6-[2-(3-oxobutoxy)ethoxy]hexanoyl]amino]ethoxy]ethoxy]-5-oxopentanoic acid (CID 162158470) is (4S)-4-[[4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]-5-[2-[2-[[(2S)-2-[[(1S,3S,6S,8S,11S,13R,16S,18R,21S,23R,26S,28S,31S,33S,38R,40R,42R,44R,46R,48R)-25-[[(2S)-3-[2-[2-[(2S)-2-[[4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]-4-carboxybutanoyl]oxyethoxy]ethylamino]-2-(methylamino)-3-oxopropyl]sulfanylmethyl]-37,38,39,40,41,42,43,44,45,46,47,48,49-tridecahydroxy-10,15,20,30,35-pentakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methylsulfanylmethyl]-4-oxo-6-[2-(3-oxobutoxy)ethoxy]hexanoyl]amino]ethoxy]ethoxy]-5-oxopentanoic acid.

What is the SMILES notation for (4S)-4-[[4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]-5-[2-[2-[[(2S)-2-[[(1S,3S,6S,8S,11S,13R,16S,18R,21S,23R,26S,28S,31S,33S,38R,40R,42R,44R,46R,48R)-25-[[(2S)-3-[2-[2-[(2S)-2-[[4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]-4-carboxybutanoyl]oxyethoxy]ethylamino]-2-(methylamino)-3-oxopropyl]sulfanylmethyl]-37,38,39,40,41,42,43,44,45,46,47,48,49-tridecahydroxy-10,15,20,30,35-pentakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methylsulfanylmethyl]-4-oxo-6-[2-(3-oxobutoxy)ethoxy]hexanoyl]amino]ethoxy]ethoxy]-5-oxopentanoic acid?

The canonical SMILES for (4S)-4-[[4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]-5-[2-[2-[[(2S)-2-[[(1S,3S,6S,8S,11S,13R,16S,18R,21S,23R,26S,28S,31S,33S,38R,40R,42R,44R,46R,48R)-25-[[(2S)-3-[2-[2-[(2S)-2-[[4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]-4-carboxybutanoyl]oxyethoxy]ethylamino]-2-(methylamino)-3-oxopropyl]sulfanylmethyl]-37,38,39,40,41,42,43,44,45,46,47,48,49-tridecahydroxy-10,15,20,30,35-pentakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methylsulfanylmethyl]-4-oxo-6-[2-(3-oxobutoxy)ethoxy]hexanoyl]amino]ethoxy]ethoxy]-5-oxopentanoic acid is CN[C@H](CSCC1O[C@H]2O[C@@H]3C(CO)O[C@H](O[C@@H]4C(CO)O[C@H](O[C@@H]5C(CO)O[C@@H](O[C@@H]6C(CSCC(CC(=O)CCOCCOCCC(C)=O)C(=O)NCCOCCOC(=O)[C@H](CCC(=O)O)NC(=O)c7ccc(CCc8c[nH]c9nc(N)[nH]c(=O)c89)cc7)O[C@H](O[C@H]7CC(O)[C@@H](OC7CO)O[C@@H]7C(CO)O[C@@H](O[C@H]1[C@H](O)C2O)C(O)[C@H]7O)C(O)[C@H]6O)C(O)[C@H]5O)C(O)[C@H]4O)C(O)[C@H]3O)C(=O)NCCOCCOC(=O)[C@H](CCC(=O)O)NC(=O)c1ccc(CCc2c[nH]c3nc(N)[nH]c(=O)c23)cc1.

What is the InChIKey of (4S)-4-[[4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]-5-[2-[2-[[(2S)-2-[[(1S,3S,6S,8S,11S,13R,16S,18R,21S,23R,26S,28S,31S,33S,38R,40R,42R,44R,46R,48R)-25-[[(2S)-3-[2-[2-[(2S)-2-[[4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]-4-carboxybutanoyl]oxyethoxy]ethylamino]-2-(methylamino)-3-oxopropyl]sulfanylmethyl]-37,38,39,40,41,42,43,44,45,46,47,48,49-tridecahydroxy-10,15,20,30,35-pentakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methylsulfanylmethyl]-4-oxo-6-[2-(3-oxobutoxy)ethoxy]hexanoyl]amino]ethoxy]ethoxy]-5-oxopentanoic acid?

The InChIKey is ZMDLISOYEJVVJP-VGNOGTIOSA-N. The full InChI is InChI=1S/C107H153N13O52S2/c1-46(126)19-23-153-27-28-154-24-20-54(127)33-53(91(145)111-21-25-155-29-31-157-97(151)55(15-17-67(129)130)115-92(146)49-9-3-47(4-10-49)7-13-51-35-113-89-69(51)95(149)119-106(108)117-89)42-173-44-65-87-75(137)77(139)100(165-65)159-59-34-58(128)99(160-60(59)37-121)167-83-61(38-122)161-103(78(140)71(83)133)172-88-66(166-105(82(144)76(88)138)170-86-64(41-125)163-102(80(142)73(86)135)168-84-62(39-123)162-101(79(141)72(84)134)169-85-63(40-124)164-104(171-87)81(143)74(85)136)45-174-43-57(110-2)94(148)112-22-26-156-30-32-158-98(152)56(16-18-68(131)132)116-93(147)50-11-5-48(6-12-50)8-14-52-36-114-90-70(52)96(150)120-107(109)118-90/h3-6,9-12,35-36,53,55-66,71-88,99-105,110,121-125,128,133-144H,7-8,13-34,37-45H2,1-2H3,(H,111,145)(H,112,148)(H,115,146)(H,116,147)(H,129,130)(H,131,132)(H4,108,113,117,119,149)(H4,109,114,118,120,150)/t53?,55-,56-,57+,58?,59-,60?,61?,62?,63?,64?,65?,66?,71+,72+,73+,74+,75+,76+,77?,78?,79?,80?,81?,82?,83+,84+,85+,86+,87+,88+,99-,100-,101+,102+,103-,104-,105-/m0/s1.

What are the key properties of (4S)-4-[[4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]-5-[2-[2-[[(2S)-2-[[(1S,3S,6S,8S,11S,13R,16S,18R,21S,23R,26S,28S,31S,33S,38R,40R,42R,44R,46R,48R)-25-[[(2S)-3-[2-[2-[(2S)-2-[[4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]-4-carboxybutanoyl]oxyethoxy]ethylamino]-2-(methylamino)-3-oxopropyl]sulfanylmethyl]-37,38,39,40,41,42,43,44,45,46,47,48,49-tridecahydroxy-10,15,20,30,35-pentakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methylsulfanylmethyl]-4-oxo-6-[2-(3-oxobutoxy)ethoxy]hexanoyl]amino]ethoxy]ethoxy]-5-oxopentanoic acid?

(4S)-4-[[4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]-5-[2-[2-[[(2S)-2-[[(1S,3S,6S,8S,11S,13R,16S,18R,21S,23R,26S,28S,31S,33S,38R,40R,42R,44R,46R,48R)-25-[[(2S)-3-[2-[2-[(2S)-2-[[4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]-4-carboxybutanoyl]oxyethoxy]ethylamino]-2-(methylamino)-3-oxopropyl]sulfanylmethyl]-37,38,39,40,41,42,43,44,45,46,47,48,49-tridecahydroxy-10,15,20,30,35-pentakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methylsulfanylmethyl]-4-oxo-6-[2-(3-oxobutoxy)ethoxy]hexanoyl]amino]ethoxy]ethoxy]-5-oxopentanoic acid has a molecular weight of 2517.57 g/mol, XLogP of -11.61, 57 rotatable bonds, 31 hydrogen bond donors, and 57 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-4-[[4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]-5-[2-[2-[[(2S)-2-[[(1S,3S,6S,8S,11S,13R,16S,18R,21S,23R,26S,28S,31S,33S,38R,40R,42R,44R,46R,48R)-25-[[(2S)-3-[2-[2-[(2S)-2-[[4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]-4-carboxybutanoyl]oxyethoxy]ethylamino]-2-(methylamino)-3-oxopropyl]sulfanylmethyl]-37,38,39,40,41,42,43,44,45,46,47,48,49-tridecahydroxy-10,15,20,30,35-pentakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methylsulfanylmethyl]-4-oxo-6-[2-(3-oxobutoxy)ethoxy]hexanoyl]amino]ethoxy]ethoxy]-5-oxopentanoic acid is sourced from PubChem (CID 162158470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).