[2-[[(1R,2R,4R)-4-(4-amino-2-oxopyrimidin-1-yl)-3,3-difluoro-2-hydroxycyclopentyl]methoxy]-2-oxoethyl] 3-[[(2S)-2-(methylamino)-3-[[(1S,3R,6S,8R,11S,13S,16S,18S,21S,23S,26S,28R,31S,33R,36R,38R,40R,42R,44R,46R,48R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-5,15,20,30,35-pentakis(hydroxymethyl)-25-(sulfanylmethyl)-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-10-yl]methylsulfanyl]propanoyl]amino]propanoate;[2-[[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methoxy]-2-oxoethyl] 3-[[(2S)-2-(methylsulfanylmethyl)-4-oxo-6-[2-(3-oxobutoxy)ethoxy]hexanoyl]amino]propanoate

C89H135F4N9O52S3 — CID 158978495

About [2-[[(1R,2R,4R)-4-(4-amino-2-oxopyrimidin-1-yl)-3,3-difluoro-2-hydroxycyclopentyl]methoxy]-2-oxoethyl] 3-[[(2S)-2-(methylamino)-3-[[(1S,3R,6S,8R,11S,13S,16S,18S,21S,23S,26S,28R,31S,33R,36R,38R,40R,42R,44R,46R,48R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-5,15,20,30,35-pentakis(hydroxymethyl)-25-(sulfanylmethyl)-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-10-yl]methylsulfanyl]propanoyl]amino]propanoate;[2-[[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methoxy]-2-oxoethyl] 3-[[(2S)-2-(methylsulfanylmethyl)-4-oxo-6-[2-(3-oxobutoxy)ethoxy]hexanoyl]amino]propanoate

[2-[[(1R,2R,4R)-4-(4-amino-2-oxopyrimidin-1-yl)-3,3-difluoro-2-hydroxycyclopentyl]methoxy]-2-oxoethyl] 3-[[(2S)-2-(methylamino)-3-[[(1S,3R,6S,8R,11S,13S,16S,18S,21S,23S,26S,28R,31S,33R,36R,38R,40R,42R,44R,46R,48R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-5,15,20,30,35-pentakis(hydroxymethyl)-25-(sulfanylmethyl)-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-10-yl]methylsulfanyl]propanoyl]amino]propanoate;[2-[[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methoxy]-2-oxoethyl] 3-[[(2S)-2-(methylsulfanylmethyl)-4-oxo-6-[2-(3-oxobutoxy)ethoxy]hexanoyl]amino]propanoate (PubChem CID 158978495) has the molecular formula C89H135F4N9O52S3 and a molecular weight of 2335.26 g/mol. Its IUPAC name is [2-[[(1R,2R,4R)-4-(4-amino-2-oxopyrimidin-1-yl)-3,3-difluoro-2-hydroxycyclopentyl]methoxy]-2-oxoethyl] 3-[[(2S)-2-(methylamino)-3-[[(1S,3R,6S,8R,11S,13S,16S,18S,21S,23S,26S,28R,31S,33R,36R,38R,40R,42R,44R,46R,48R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-5,15,20,30,35-pentakis(hydroxymethyl)-25-(sulfanylmethyl)-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-10-yl]methylsulfanyl]propanoyl]amino]propanoate;[2-[[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methoxy]-2-oxoethyl] 3-[[(2S)-2-(methylsulfanylmethyl)-4-oxo-6-[2-(3-oxobutoxy)ethoxy]hexanoyl]amino]propanoate.

Molecular Properties

• Compound Name: [2-[[(1R,2R,4R)-4-(4-amino-2-oxopyrimidin-1-yl)-3,3-difluoro-2-hydroxycyclopentyl]methoxy]-2-oxoethyl] 3-[[(2S)-2-(methylamino)-3-[[(1S,3R,6S,8R,11S,13S,16S,18S,21S,23S,26S,28R,31S,33R,36R,38R,40R,42R,44R,46R,48R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-5,15,20,30,35-pentakis(hydroxymethyl)-25-(sulfanylmethyl)-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-10-yl]methylsulfanyl]propanoyl]amino]propanoate;[2-[[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methoxy]-2-oxoethyl] 3-[[(2S)-2-(methylsulfanylmethyl)-4-oxo-6-[2-(3-oxobutoxy)ethoxy]hexanoyl]amino]propanoate
• PubChem CID: 158978495
• Molecular Formula: C89H135F4N9O52S3
• Molecular Weight: 2335.26 g/mol
• Exact Mass: 2333.73
• IUPAC Name: [2-[[(1R,2R,4R)-4-(4-amino-2-oxopyrimidin-1-yl)-3,3-difluoro-2-hydroxycyclopentyl]methoxy]-2-oxoethyl] 3-[[(2S)-2-(methylamino)-3-[[(1S,3R,6S,8R,11S,13S,16S,18S,21S,23S,26S,28R,31S,33R,36R,38R,40R,42R,44R,46R,48R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-5,15,20,30,35-pentakis(hydroxymethyl)-25-(sulfanylmethyl)-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-10-yl]methylsulfanyl]propanoyl]amino]propanoate;[2-[[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methoxy]-2-oxoethyl] 3-[[(2S)-2-(methylsulfanylmethyl)-4-oxo-6-[2-(3-oxobutoxy)ethoxy]hexanoyl]amino]propanoate
• 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(CS)O[C@H](O[C@@H]7C(CO)O[C@@H](O[C@@H]8C(CO)O[C@@H](O[C@H]1[C@H](O)C2O)C(O)[C@H]8O)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)NCCC(=O)OCC(=O)OC[C@H]1C[C@@H](n2ccc(N)nc2=O)C(F)(F)[C@@H]1O.CSC[C@@H](CC(=O)CCOCCOCCC(C)=O)C(=O)NCCC(=O)OCC(=O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)C(F)(F)[C@@H]1O
• InChI: InChI=1S/C61H95F2N5O40S2.C28H40F2N4O12S/c1-65-18(52(91)66-4-2-28(74)94-13-29(75)93-12-17-6-26(61(62,63)51(17)90)68-5-3-27(64)67-60(68)92)15-110-16-25-50-36(82)43(89)59(101-25)106-48-23(11-73)97-55(39(85)32(48)78)102-44-19(7-69)95-53(37(83)30(44)76)103-45-20(8-70)98-56(40(86)33(45)79)107-49-24(14-109)100-58(42(88)35(49)81)105-47-22(10-72)96-54(38(84)31(47)77)104-46-21(9-71)99-57(108-50)41(87)34(46)80;1-17(35)5-9-42-11-12-43-10-6-19(36)13-18(16-47-2)25(40)32-7-3-22(37)45-15-23(38)44-14-20-24(39)28(29,30)26(46-20)34-8-4-21(31)33-27(34)41/h3,5,17-26,30-51,53-59,65,69-73,76-90,109H,2,4,6-16H2,1H3,(H,66,91)(H2,64,67,92);4,8,18,20,24,26,39H,3,5-7,9-16H2,1-2H3,(H,32,40)(H2,31,33,41)/t17-,18-,19?,20?,21?,22?,23?,24?,25?,26-,30-,31-,32-,33-,34-,35-,36-,37?,38?,39?,40?,41?,42?,43?,44-,45-,46-,47-,48-,49-,50-,51-,53-,54+,55-,56-,57+,58-,59+;18-,20-,24-,26-/m11/s1
• InChIKey: JORQKKNXTYRIKJ-AGSQQXGPSA-N
• XLogP: -15.32
• TPSA: 913.13 Ų
• H-Bond Donors: 27
• H-Bond Acceptors: 62
• Rotatable Bonds: 42
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2335.26
LogP ≤ 5	-15.32
H-Bond Donors ≤ 5	27
H-Bond Acceptors ≤ 10	62

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-[[(1R,2R,4R)-4-(4-amino-2-oxopyrimidin-1-yl)-3,3-difluoro-2-hydroxycyclopentyl]methoxy]-2-oxoethyl] 3-[[(2S)-2-(methylamino)-3-[[(1S,3R,6S,8R,11S,13S,16S,18S,21S,23S,26S,28R,31S,33R,36R,38R,40R,42R,44R,46R,48R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-5,15,20,30,35-pentakis(hydroxymethyl)-25-(sulfanylmethyl)-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-10-yl]methylsulfanyl]propanoyl]amino]propanoate;[2-[[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methoxy]-2-oxoethyl] 3-[[(2S)-2-(methylsulfanylmethyl)-4-oxo-6-[2-(3-oxobutoxy)ethoxy]hexanoyl]amino]propanoate?

The IUPAC name of [2-[[(1R,2R,4R)-4-(4-amino-2-oxopyrimidin-1-yl)-3,3-difluoro-2-hydroxycyclopentyl]methoxy]-2-oxoethyl] 3-[[(2S)-2-(methylamino)-3-[[(1S,3R,6S,8R,11S,13S,16S,18S,21S,23S,26S,28R,31S,33R,36R,38R,40R,42R,44R,46R,48R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-5,15,20,30,35-pentakis(hydroxymethyl)-25-(sulfanylmethyl)-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-10-yl]methylsulfanyl]propanoyl]amino]propanoate;[2-[[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methoxy]-2-oxoethyl] 3-[[(2S)-2-(methylsulfanylmethyl)-4-oxo-6-[2-(3-oxobutoxy)ethoxy]hexanoyl]amino]propanoate (CID 158978495) is [2-[[(1R,2R,4R)-4-(4-amino-2-oxopyrimidin-1-yl)-3,3-difluoro-2-hydroxycyclopentyl]methoxy]-2-oxoethyl] 3-[[(2S)-2-(methylamino)-3-[[(1S,3R,6S,8R,11S,13S,16S,18S,21S,23S,26S,28R,31S,33R,36R,38R,40R,42R,44R,46R,48R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-5,15,20,30,35-pentakis(hydroxymethyl)-25-(sulfanylmethyl)-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-10-yl]methylsulfanyl]propanoyl]amino]propanoate;[2-[[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methoxy]-2-oxoethyl] 3-[[(2S)-2-(methylsulfanylmethyl)-4-oxo-6-[2-(3-oxobutoxy)ethoxy]hexanoyl]amino]propanoate.

What is the SMILES notation for [2-[[(1R,2R,4R)-4-(4-amino-2-oxopyrimidin-1-yl)-3,3-difluoro-2-hydroxycyclopentyl]methoxy]-2-oxoethyl] 3-[[(2S)-2-(methylamino)-3-[[(1S,3R,6S,8R,11S,13S,16S,18S,21S,23S,26S,28R,31S,33R,36R,38R,40R,42R,44R,46R,48R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-5,15,20,30,35-pentakis(hydroxymethyl)-25-(sulfanylmethyl)-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-10-yl]methylsulfanyl]propanoyl]amino]propanoate;[2-[[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methoxy]-2-oxoethyl] 3-[[(2S)-2-(methylsulfanylmethyl)-4-oxo-6-[2-(3-oxobutoxy)ethoxy]hexanoyl]amino]propanoate?

The canonical SMILES for [2-[[(1R,2R,4R)-4-(4-amino-2-oxopyrimidin-1-yl)-3,3-difluoro-2-hydroxycyclopentyl]methoxy]-2-oxoethyl] 3-[[(2S)-2-(methylamino)-3-[[(1S,3R,6S,8R,11S,13S,16S,18S,21S,23S,26S,28R,31S,33R,36R,38R,40R,42R,44R,46R,48R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-5,15,20,30,35-pentakis(hydroxymethyl)-25-(sulfanylmethyl)-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-10-yl]methylsulfanyl]propanoyl]amino]propanoate;[2-[[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methoxy]-2-oxoethyl] 3-[[(2S)-2-(methylsulfanylmethyl)-4-oxo-6-[2-(3-oxobutoxy)ethoxy]hexanoyl]amino]propanoate 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(CS)O[C@H](O[C@@H]7C(CO)O[C@@H](O[C@@H]8C(CO)O[C@@H](O[C@H]1[C@H](O)C2O)C(O)[C@H]8O)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)NCCC(=O)OCC(=O)OC[C@H]1C[C@@H](n2ccc(N)nc2=O)C(F)(F)[C@@H]1O.CSC[C@@H](CC(=O)CCOCCOCCC(C)=O)C(=O)NCCC(=O)OCC(=O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)C(F)(F)[C@@H]1O.

What is the InChIKey of [2-[[(1R,2R,4R)-4-(4-amino-2-oxopyrimidin-1-yl)-3,3-difluoro-2-hydroxycyclopentyl]methoxy]-2-oxoethyl] 3-[[(2S)-2-(methylamino)-3-[[(1S,3R,6S,8R,11S,13S,16S,18S,21S,23S,26S,28R,31S,33R,36R,38R,40R,42R,44R,46R,48R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-5,15,20,30,35-pentakis(hydroxymethyl)-25-(sulfanylmethyl)-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-10-yl]methylsulfanyl]propanoyl]amino]propanoate;[2-[[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methoxy]-2-oxoethyl] 3-[[(2S)-2-(methylsulfanylmethyl)-4-oxo-6-[2-(3-oxobutoxy)ethoxy]hexanoyl]amino]propanoate?

The InChIKey is JORQKKNXTYRIKJ-AGSQQXGPSA-N. The full InChI is InChI=1S/C61H95F2N5O40S2.C28H40F2N4O12S/c1-65-18(52(91)66-4-2-28(74)94-13-29(75)93-12-17-6-26(61(62,63)51(17)90)68-5-3-27(64)67-60(68)92)15-110-16-25-50-36(82)43(89)59(101-25)106-48-23(11-73)97-55(39(85)32(48)78)102-44-19(7-69)95-53(37(83)30(44)76)103-45-20(8-70)98-56(40(86)33(45)79)107-49-24(14-109)100-58(42(88)35(49)81)105-47-22(10-72)96-54(38(84)31(47)77)104-46-21(9-71)99-57(108-50)41(87)34(46)80;1-17(35)5-9-42-11-12-43-10-6-19(36)13-18(16-47-2)25(40)32-7-3-22(37)45-15-23(38)44-14-20-24(39)28(29,30)26(46-20)34-8-4-21(31)33-27(34)41/h3,5,17-26,30-51,53-59,65,69-73,76-90,109H,2,4,6-16H2,1H3,(H,66,91)(H2,64,67,92);4,8,18,20,24,26,39H,3,5-7,9-16H2,1-2H3,(H,32,40)(H2,31,33,41)/t17-,18-,19?,20?,21?,22?,23?,24?,25?,26-,30-,31-,32-,33-,34-,35-,36-,37?,38?,39?,40?,41?,42?,43?,44-,45-,46-,47-,48-,49-,50-,51-,53-,54+,55-,56-,57+,58-,59+;18-,20-,24-,26-/m11/s1.

What are the key properties of [2-[[(1R,2R,4R)-4-(4-amino-2-oxopyrimidin-1-yl)-3,3-difluoro-2-hydroxycyclopentyl]methoxy]-2-oxoethyl] 3-[[(2S)-2-(methylamino)-3-[[(1S,3R,6S,8R,11S,13S,16S,18S,21S,23S,26S,28R,31S,33R,36R,38R,40R,42R,44R,46R,48R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-5,15,20,30,35-pentakis(hydroxymethyl)-25-(sulfanylmethyl)-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-10-yl]methylsulfanyl]propanoyl]amino]propanoate;[2-[[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methoxy]-2-oxoethyl] 3-[[(2S)-2-(methylsulfanylmethyl)-4-oxo-6-[2-(3-oxobutoxy)ethoxy]hexanoyl]amino]propanoate?

[2-[[(1R,2R,4R)-4-(4-amino-2-oxopyrimidin-1-yl)-3,3-difluoro-2-hydroxycyclopentyl]methoxy]-2-oxoethyl] 3-[[(2S)-2-(methylamino)-3-[[(1S,3R,6S,8R,11S,13S,16S,18S,21S,23S,26S,28R,31S,33R,36R,38R,40R,42R,44R,46R,48R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-5,15,20,30,35-pentakis(hydroxymethyl)-25-(sulfanylmethyl)-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-10-yl]methylsulfanyl]propanoyl]amino]propanoate;[2-[[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methoxy]-2-oxoethyl] 3-[[(2S)-2-(methylsulfanylmethyl)-4-oxo-6-[2-(3-oxobutoxy)ethoxy]hexanoyl]amino]propanoate has a molecular weight of 2335.26 g/mol, XLogP of -15.32, 42 rotatable bonds, 27 hydrogen bond donors, and 62 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[[(1R,2R,4R)-4-(4-amino-2-oxopyrimidin-1-yl)-3,3-difluoro-2-hydroxycyclopentyl]methoxy]-2-oxoethyl] 3-[[(2S)-2-(methylamino)-3-[[(1S,3R,6S,8R,11S,13S,16S,18S,21S,23S,26S,28R,31S,33R,36R,38R,40R,42R,44R,46R,48R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-5,15,20,30,35-pentakis(hydroxymethyl)-25-(sulfanylmethyl)-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-10-yl]methylsulfanyl]propanoyl]amino]propanoate;[2-[[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methoxy]-2-oxoethyl] 3-[[(2S)-2-(methylsulfanylmethyl)-4-oxo-6-[2-(3-oxobutoxy)ethoxy]hexanoyl]amino]propanoate is sourced from PubChem (CID 158978495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).