5-[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]-5-oxopentanoic acid;3-[[5-[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]-5-oxopentanoyl]amino]propyl (2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[butanoyloxymethyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-5-(4-hydroxyphenyl)-2-methylpentanoate;[2-(1-hydroxybutan-2-yloxy)-2-methoxyethyl] 5-oxo-5-[2-(pyridin-2-yldisulfanyl)ethylamino]pentanoate;2-(2-hydroxy-1-methoxyethoxy)butan-1-ol

C95H158N8O33S3 — CID 162107954

IUPAC5-[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]-5-oxopentanoic acid;3-[[5-[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]-5-oxopentanoyl]amino]propyl (2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[butanoyloxymethyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-5-(4-hydroxyphenyl)-2-methylpentanoate;[2-(1-hydroxybutan-2-yloxy)-2-methoxyethyl] 5-oxo-5-[2-(pyridin-2-yldisulfanyl)ethylamino]pentanoate;2-(2-hydroxy-1-methoxyethoxy)butan-1-ol
SMILESCCC(CO)OC(CO)OC.CCC(CO)OC(COC(=O)CCCC(=O)NCCSSc1ccccn1)OC.CCC(CO)OC(COC(=O)CCCC(=O)O)OC.CCCC(=O)OCN(C(=O)[C@@H](NC(=O)[C@H]1CCCCN1C)[C@@H](C)CC)[C@H](C[C@@H](OC(C)=O)c1nc(C(=O)N[C@@H](Cc2ccc(O)cc2)C[C@H](C)C(=O)OCCCNC(=O)CCCC(=O)OCC(OC)OC(CC)CO)cs1)C(C)C
InChIInChI=1S/C57H90N6O16S.C19H30N2O6S2.C12H22O7.C7H16O4/c1-11-18-49(68)77-35-63(56(72)52(37(6)12-2)61-54(71)45-19-14-15-27-62(45)9)46(36(4)5)31-47(78-39(8)65)55-60-44(34-80-55)53(70)59-41(30-40-22-24-42(66)25-23-40)29-38(7)57(73)75-28-17-26-58-48(67)20-16-21-50(69)76-33-51(74-10)79-43(13-3)32-64;1-3-15(13-22)27-19(25-2)14-26-18(24)9-6-7-16(23)20-11-12-28-29-17-8-4-5-10-21-17;1-3-9(7-13)19-12(17-2)8-18-11(16)6-4-5-10(14)15;1-3-6(4-8)11-7(5-9)10-2/h22-25,34,36-38,41,43,45-47,51-52,64,66H,11-21,26-33,35H2,1-10H3,(H,58,67)(H,59,70)(H,61,71);4-5,8,10,15,19,22H,3,6-7,9,11-14H2,1-2H3,(H,20,23);9,12-13H,3-8H2,1-2H3,(H,14,15);6-9H,3-5H2,1-2H3/t37-,38-,41+,43?,45+,46+,47+,51?,52-;;;/m0.../s1
InChIKeyZFTKJMZYRNQBON-HTOMGSRTSA-N
MW2036.53 g/mol
LogP8.60
Rot. Bonds70

About 5-[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]-5-oxopentanoic acid;3-[[5-[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]-5-oxopentanoyl]amino]propyl (2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[butanoyloxymethyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-5-(4-hydroxyphenyl)-2-methylpentanoate;[2-(1-hydroxybutan-2-yloxy)-2-methoxyethyl] 5-oxo-5-[2-(pyridin-2-yldisulfanyl)ethylamino]pentanoate;2-(2-hydroxy-1-methoxyethoxy)butan-1-ol

5-[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]-5-oxopentanoic acid;3-[[5-[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]-5-oxopentanoyl]amino]propyl (2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[butanoyloxymethyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-5-(4-hydroxyphenyl)-2-methylpentanoate;[2-(1-hydroxybutan-2-yloxy)-2-methoxyethyl] 5-oxo-5-[2-(pyridin-2-yldisulfanyl)ethylamino]pentanoate;2-(2-hydroxy-1-methoxyethoxy)butan-1-ol (PubChem CID 162107954) has the molecular formula C95H158N8O33S3 and a molecular weight of 2036.53 g/mol. Its IUPAC name is 5-[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]-5-oxopentanoic acid;3-[[5-[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]-5-oxopentanoyl]amino]propyl (2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[butanoyloxymethyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-5-(4-hydroxyphenyl)-2-methylpentanoate;[2-(1-hydroxybutan-2-yloxy)-2-methoxyethyl] 5-oxo-5-[2-(pyridin-2-yldisulfanyl)ethylamino]pentanoate;2-(2-hydroxy-1-methoxyethoxy)butan-1-ol.

Molecular Properties

Compound Name5-[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]-5-oxopentanoic acid;3-[[5-[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]-5-oxopentanoyl]amino]propyl (2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[butanoyloxymethyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-5-(4-hydroxyphenyl)-2-methylpentanoate;[2-(1-hydroxybutan-2-yloxy)-2-methoxyethyl] 5-oxo-5-[2-(pyridin-2-yldisulfanyl)ethylamino]pentanoate;2-(2-hydroxy-1-methoxyethoxy)butan-1-ol
PubChem CID162107954
Molecular FormulaC95H158N8O33S3
Molecular Weight2036.53 g/mol
Exact Mass2035.01
IUPAC Name5-[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]-5-oxopentanoic acid;3-[[5-[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]-5-oxopentanoyl]amino]propyl (2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[butanoyloxymethyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-5-(4-hydroxyphenyl)-2-methylpentanoate;[2-(1-hydroxybutan-2-yloxy)-2-methoxyethyl] 5-oxo-5-[2-(pyridin-2-yldisulfanyl)ethylamino]pentanoate;2-(2-hydroxy-1-methoxyethoxy)butan-1-ol
SMILESCCC(CO)OC(CO)OC.CCC(CO)OC(COC(=O)CCCC(=O)NCCSSc1ccccn1)OC.CCC(CO)OC(COC(=O)CCCC(=O)O)OC.CCCC(=O)OCN(C(=O)[C@@H](NC(=O)[C@H]1CCCCN1C)[C@@H](C)CC)[C@H](C[C@@H](OC(C)=O)c1nc(C(=O)N[C@@H](Cc2ccc(O)cc2)C[C@H](C)C(=O)OCCCNC(=O)CCCC(=O)OCC(OC)OC(CC)CO)cs1)C(C)C
InChIInChI=1S/C57H90N6O16S.C19H30N2O6S2.C12H22O7.C7H16O4/c1-11-18-49(68)77-35-63(56(72)52(37(6)12-2)61-54(71)45-19-14-15-27-62(45)9)46(36(4)5)31-47(78-39(8)65)55-60-44(34-80-55)53(70)59-41(30-40-22-24-42(66)25-23-40)29-38(7)57(73)75-28-17-26-58-48(67)20-16-21-50(69)76-33-51(74-10)79-43(13-3)32-64;1-3-15(13-22)27-19(25-2)14-26-18(24)9-6-7-16(23)20-11-12-28-29-17-8-4-5-10-21-17;1-3-9(7-13)19-12(17-2)8-18-11(16)6-4-5-10(14)15;1-3-6(4-8)11-7(5-9)10-2/h22-25,34,36-38,41,43,45-47,51-52,64,66H,11-21,26-33,35H2,1-10H3,(H,58,67)(H,59,70)(H,61,71);4-5,8,10,15,19,22H,3,6-7,9,11-14H2,1-2H3,(H,20,23);9,12-13H,3-8H2,1-2H3,(H,14,15);6-9H,3-5H2,1-2H3/t37-,38-,41+,43?,45+,46+,47+,51?,52-;;;/m0.../s1
InChIKeyZFTKJMZYRNQBON-HTOMGSRTSA-N
XLogP8.60
TPSA556.05 Ų
H-Bond Donors11
H-Bond Acceptors38
Rotatable Bonds70
Heavy Atoms139
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002036.53
LogP ≤ 58.60
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 5-[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]-5-oxopentanoic acid;3-[[5-[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]-5-oxopentanoyl]amino]propyl (2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[butanoyloxymethyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-5-(4-hydroxyphenyl)-2-methylpentanoate;[2-(1-hydroxybutan-2-yloxy)-2-methoxyethyl] 5-oxo-5-[2-(pyridin-2-yldisulfanyl)ethylamino]pentanoate;2-(2-hydroxy-1-methoxyethoxy)butan-1-ol with MolForge

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Related Compounds

[[(1R,3R)-1-acetyloxy-1-[4-[[(2R,4S)-1-(4-hydroxyphenyl)-4-methyl-5-oxo-5-[[2-oxo-2-[2-(pyridin-2-yldisulfanyl)ethoxy]ethyl]amino]pentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentan-3-yl]-[(2S)-3-methyl-2-[(1-methylpiperidine-2-carbonyl)amino]pentanoyl]amino]methyl butanoate
CID 157162012
ethyl (2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[butanoyloxymethyl-[(2S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-5-(4-hydroxyphenyl)-2-methylpentanoate
CID 90196205
(2R,4R)-4-[[2-[(1S,3R)-1-acetyloxy-3-[butanoyloxymethyl-[(2R,3R)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoic acid
CID 162903947
[[(1R,3R)-1-acetyloxy-1-[4-[[(2R,4S)-5-[3-[hydroxy(dimethyl)silyl]propylamino]-1-(4-hydroxyphenyl)-4-methyl-5-oxopentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentan-3-yl]-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]methyl butanoate
CID 147358242
[[(1R,3R)-1-acetyloxy-1-[4-[[(2R,4S)-5-hydrazinyl-1-(4-hydroxyphenyl)-4-methyl-5-oxopentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentan-3-yl]-[(2S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]methyl butanoate
CID 42598155
[(1R,3R)-4-methyl-3-[[(2S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]-(pentoxymethyl)amino]-1-[4-[[(2R,4S)-4-methyl-5-oxo-1-phenyl-5-[2-[2-(pyridin-2-yldisulfanyl)ethoxycarbonyl]hydrazinyl]pentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] acetate
CID 118669384
4-[[2-[3-[2-[[[(2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[butanoyloxymethyl-[(2S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-5-(4-hydroxyphenyl)-2-methylpentanoyl]amino]carbamoyloxy]ethyldisulfanyl]propanoylamino]-5-oxo-5-[[(3R,5S)-3,5,6-trihydroxyhexyl]amino]pentanoyl]amino]-5-[[1-amino-1,5-dioxo-5-[[(3R,5S)-3,5,6-trihydroxyhexyl]amino]pentan-2-yl]amino]-5-oxopentanoic acid
CID 122633095
(2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[3-methylbutanoyloxymethyl-[(3S)-3-methyl-2-[(1-methylpiperidine-2-carbonyl)amino]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-5-(4-hydroxyphenyl)-2-methylpentanoic acid
CID 67618335
N-[(2R,4S)-1-(4-hydroxyphenyl)-4-methyl-5-oxo-5-[2-(pyridin-2-yldisulfanyl)ethylamino]pentan-2-yl]-2-[(1R,3R)-4-methyl-3-[methyl-[(2S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]-1-propoxypentyl]-1,3-thiazole-4-carboxamide
CID 139356397
[[(1R)-1-acetyloxy-1-[4-[[(2R,4S)-5-(2-ethoxycarbonylhydrazinyl)-1-(4-hydroxyphenyl)-4-methyl-5-oxopentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentan-3-yl]-[(2S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]methyl butanoate
CID 89098553
[2-(1-hydroxybutan-2-yloxy)-2-methoxyethyl] 17-[2-[[[(2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-5-(4-fluorophenyl)-2-methylpentanoyl]amino]carbamoyloxy]ethyldisulfanyl]-5-oxoheptadecanoate
CID 90147007
(2R)-2-acetamido-3-[2-[[[(2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[butanoyloxymethyl-[(2S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-5-(4-hydroxyphenyl)-2-methylpentanoyl]amino]carbamoyloxy]ethyldisulfanyl]propanoic acid
CID 90196276

Frequently Asked Questions

What is the IUPAC name of 5-[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]-5-oxopentanoic acid;3-[[5-[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]-5-oxopentanoyl]amino]propyl (2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[butanoyloxymethyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-5-(4-hydroxyphenyl)-2-methylpentanoate;[2-(1-hydroxybutan-2-yloxy)-2-methoxyethyl] 5-oxo-5-[2-(pyridin-2-yldisulfanyl)ethylamino]pentanoate;2-(2-hydroxy-1-methoxyethoxy)butan-1-ol?
The IUPAC name of 5-[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]-5-oxopentanoic acid;3-[[5-[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]-5-oxopentanoyl]amino]propyl (2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[butanoyloxymethyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-5-(4-hydroxyphenyl)-2-methylpentanoate;[2-(1-hydroxybutan-2-yloxy)-2-methoxyethyl] 5-oxo-5-[2-(pyridin-2-yldisulfanyl)ethylamino]pentanoate;2-(2-hydroxy-1-methoxyethoxy)butan-1-ol (CID 162107954) is 5-[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]-5-oxopentanoic acid;3-[[5-[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]-5-oxopentanoyl]amino]propyl (2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[butanoyloxymethyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-5-(4-hydroxyphenyl)-2-methylpentanoate;[2-(1-hydroxybutan-2-yloxy)-2-methoxyethyl] 5-oxo-5-[2-(pyridin-2-yldisulfanyl)ethylamino]pentanoate;2-(2-hydroxy-1-methoxyethoxy)butan-1-ol.
What is the SMILES notation for 5-[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]-5-oxopentanoic acid;3-[[5-[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]-5-oxopentanoyl]amino]propyl (2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[butanoyloxymethyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-5-(4-hydroxyphenyl)-2-methylpentanoate;[2-(1-hydroxybutan-2-yloxy)-2-methoxyethyl] 5-oxo-5-[2-(pyridin-2-yldisulfanyl)ethylamino]pentanoate;2-(2-hydroxy-1-methoxyethoxy)butan-1-ol?
The canonical SMILES for 5-[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]-5-oxopentanoic acid;3-[[5-[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]-5-oxopentanoyl]amino]propyl (2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[butanoyloxymethyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-5-(4-hydroxyphenyl)-2-methylpentanoate;[2-(1-hydroxybutan-2-yloxy)-2-methoxyethyl] 5-oxo-5-[2-(pyridin-2-yldisulfanyl)ethylamino]pentanoate;2-(2-hydroxy-1-methoxyethoxy)butan-1-ol is CCC(CO)OC(CO)OC.CCC(CO)OC(COC(=O)CCCC(=O)NCCSSc1ccccn1)OC.CCC(CO)OC(COC(=O)CCCC(=O)O)OC.CCCC(=O)OCN(C(=O)[C@@H](NC(=O)[C@H]1CCCCN1C)[C@@H](C)CC)[C@H](C[C@@H](OC(C)=O)c1nc(C(=O)N[C@@H](Cc2ccc(O)cc2)C[C@H](C)C(=O)OCCCNC(=O)CCCC(=O)OCC(OC)OC(CC)CO)cs1)C(C)C.
What is the InChIKey of 5-[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]-5-oxopentanoic acid;3-[[5-[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]-5-oxopentanoyl]amino]propyl (2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[butanoyloxymethyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-5-(4-hydroxyphenyl)-2-methylpentanoate;[2-(1-hydroxybutan-2-yloxy)-2-methoxyethyl] 5-oxo-5-[2-(pyridin-2-yldisulfanyl)ethylamino]pentanoate;2-(2-hydroxy-1-methoxyethoxy)butan-1-ol?
The InChIKey is ZFTKJMZYRNQBON-HTOMGSRTSA-N. The full InChI is InChI=1S/C57H90N6O16S.C19H30N2O6S2.C12H22O7.C7H16O4/c1-11-18-49(68)77-35-63(56(72)52(37(6)12-2)61-54(71)45-19-14-15-27-62(45)9)46(36(4)5)31-47(78-39(8)65)55-60-44(34-80-55)53(70)59-41(30-40-22-24-42(66)25-23-40)29-38(7)57(73)75-28-17-26-58-48(67)20-16-21-50(69)76-33-51(74-10)79-43(13-3)32-64;1-3-15(13-22)27-19(25-2)14-26-18(24)9-6-7-16(23)20-11-12-28-29-17-8-4-5-10-21-17;1-3-9(7-13)19-12(17-2)8-18-11(16)6-4-5-10(14)15;1-3-6(4-8)11-7(5-9)10-2/h22-25,34,36-38,41,43,45-47,51-52,64,66H,11-21,26-33,35H2,1-10H3,(H,58,67)(H,59,70)(H,61,71);4-5,8,10,15,19,22H,3,6-7,9,11-14H2,1-2H3,(H,20,23);9,12-13H,3-8H2,1-2H3,(H,14,15);6-9H,3-5H2,1-2H3/t37-,38-,41+,43?,45+,46+,47+,51?,52-;;;/m0.../s1.
What are the key properties of 5-[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]-5-oxopentanoic acid;3-[[5-[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]-5-oxopentanoyl]amino]propyl (2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[butanoyloxymethyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-5-(4-hydroxyphenyl)-2-methylpentanoate;[2-(1-hydroxybutan-2-yloxy)-2-methoxyethyl] 5-oxo-5-[2-(pyridin-2-yldisulfanyl)ethylamino]pentanoate;2-(2-hydroxy-1-methoxyethoxy)butan-1-ol?
5-[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]-5-oxopentanoic acid;3-[[5-[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]-5-oxopentanoyl]amino]propyl (2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[butanoyloxymethyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-5-(4-hydroxyphenyl)-2-methylpentanoate;[2-(1-hydroxybutan-2-yloxy)-2-methoxyethyl] 5-oxo-5-[2-(pyridin-2-yldisulfanyl)ethylamino]pentanoate;2-(2-hydroxy-1-methoxyethoxy)butan-1-ol has a molecular weight of 2036.53 g/mol, XLogP of 8.60, 70 rotatable bonds, 11 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]-5-oxopentanoic acid;3-[[5-[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]-5-oxopentanoyl]amino]propyl (2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[butanoyloxymethyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-5-(4-hydroxyphenyl)-2-methylpentanoate;[2-(1-hydroxybutan-2-yloxy)-2-methoxyethyl] 5-oxo-5-[2-(pyridin-2-yldisulfanyl)ethylamino]pentanoate;2-(2-hydroxy-1-methoxyethoxy)butan-1-ol is sourced from PubChem (CID 162107954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).