2-[2-[2-[2-[2-[2,5-dioxo-1-(4-oxooctyl)pyrrolidin-3-yl]sulfanylethoxy]ethoxy]ethoxy]ethoxy]-N-[2-[2-[5-[(2R,3R,4S,5R,6R)-2-ethyl-6-[(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6R)-2-ethyl-6-[(2S,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6S)-2-ethyl-6-methoxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]oxy-4,5-dimethoxyoxan-3-yl]oxypentoxy]ethoxy]ethyl]acetamide

C75H134N2O27S — CID 59739711

IUPAC2-[2-[2-[2-[2-[2,5-dioxo-1-(4-oxooctyl)pyrrolidin-3-yl]sulfanylethoxy]ethoxy]ethoxy]ethoxy]-N-[2-[2-[5-[(2R,3R,4S,5R,6R)-2-ethyl-6-[(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6R)-2-ethyl-6-[(2S,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6S)-2-ethyl-6-methoxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]oxy-4,5-dimethoxyoxan-3-yl]oxypentoxy]ethoxy]ethyl]acetamide
SMILESCCCCC(=O)CCCN1C(=O)CC(SCCOCCOCCOCCOCC(=O)NCCOCCOCCCCCO[C@H]2[C@H](OC)[C@@H](OC)[C@@H](O[C@H]3[C@H](OC)[C@@H](OC)[C@H](O[C@H]4[C@H](C)[C@@H](C)[C@@H](O[C@H]5[C@H](OC)[C@@H](OC)[C@H](O[C@H]6[C@H](C)[C@@H](C)[C@@H](OC)O[C@@H]6CC)O[C@H]5C)O[C@@H]4CC)O[C@@H]3C)O[C@@H]2CC)C1=O
InChIInChI=1S/C75H134N2O27S/c1-18-22-27-52(78)28-26-30-77-58(80)44-56(70(77)81)105-43-42-93-39-38-91-36-37-92-40-41-94-45-57(79)76-29-33-90-35-34-89-31-24-23-25-32-95-63-55(21-4)100-75(69(87-16)66(63)84-13)104-62-51(10)97-74(68(86-15)65(62)83-12)102-60-47(6)49(8)72(99-54(60)20-3)103-61-50(9)96-73(67(85-14)64(61)82-11)101-59-46(5)48(7)71(88-17)98-53(59)19-2/h46-51,53-56,59-69,71-75H,18-45H2,1-17H3,(H,76,79)/t46-,47-,48-,49-,50+,51-,53-,54-,55-,56?,59+,60+,61-,62-,63-,64+,65+,66+,67-,68-,69-,71+,72-,73+,74+,75-/m1/s1
InChIKeyGYHRURMFJJGECP-HSIIBGKVSA-N
MW1527.95 g/mol
LogP6.87
Rot. Bonds53

About 2-[2-[2-[2-[2-[2,5-dioxo-1-(4-oxooctyl)pyrrolidin-3-yl]sulfanylethoxy]ethoxy]ethoxy]ethoxy]-N-[2-[2-[5-[(2R,3R,4S,5R,6R)-2-ethyl-6-[(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6R)-2-ethyl-6-[(2S,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6S)-2-ethyl-6-methoxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]oxy-4,5-dimethoxyoxan-3-yl]oxypentoxy]ethoxy]ethyl]acetamide

2-[2-[2-[2-[2-[2,5-dioxo-1-(4-oxooctyl)pyrrolidin-3-yl]sulfanylethoxy]ethoxy]ethoxy]ethoxy]-N-[2-[2-[5-[(2R,3R,4S,5R,6R)-2-ethyl-6-[(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6R)-2-ethyl-6-[(2S,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6S)-2-ethyl-6-methoxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]oxy-4,5-dimethoxyoxan-3-yl]oxypentoxy]ethoxy]ethyl]acetamide (PubChem CID 59739711) has the molecular formula C75H134N2O27S and a molecular weight of 1527.95 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2,5-dioxo-1-(4-oxooctyl)pyrrolidin-3-yl]sulfanylethoxy]ethoxy]ethoxy]ethoxy]-N-[2-[2-[5-[(2R,3R,4S,5R,6R)-2-ethyl-6-[(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6R)-2-ethyl-6-[(2S,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6S)-2-ethyl-6-methoxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]oxy-4,5-dimethoxyoxan-3-yl]oxypentoxy]ethoxy]ethyl]acetamide.

Molecular Properties

Compound Name2-[2-[2-[2-[2-[2,5-dioxo-1-(4-oxooctyl)pyrrolidin-3-yl]sulfanylethoxy]ethoxy]ethoxy]ethoxy]-N-[2-[2-[5-[(2R,3R,4S,5R,6R)-2-ethyl-6-[(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6R)-2-ethyl-6-[(2S,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6S)-2-ethyl-6-methoxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]oxy-4,5-dimethoxyoxan-3-yl]oxypentoxy]ethoxy]ethyl]acetamide
PubChem CID59739711
Molecular FormulaC75H134N2O27S
Molecular Weight1527.95 g/mol
Exact Mass1526.89
IUPAC Name2-[2-[2-[2-[2-[2,5-dioxo-1-(4-oxooctyl)pyrrolidin-3-yl]sulfanylethoxy]ethoxy]ethoxy]ethoxy]-N-[2-[2-[5-[(2R,3R,4S,5R,6R)-2-ethyl-6-[(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6R)-2-ethyl-6-[(2S,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6S)-2-ethyl-6-methoxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]oxy-4,5-dimethoxyoxan-3-yl]oxypentoxy]ethoxy]ethyl]acetamide
SMILESCCCCC(=O)CCCN1C(=O)CC(SCCOCCOCCOCCOCC(=O)NCCOCCOCCCCCO[C@H]2[C@H](OC)[C@@H](OC)[C@@H](O[C@H]3[C@H](OC)[C@@H](OC)[C@H](O[C@H]4[C@H](C)[C@@H](C)[C@@H](O[C@H]5[C@H](OC)[C@@H](OC)[C@H](O[C@H]6[C@H](C)[C@@H](C)[C@@H](OC)O[C@@H]6CC)O[C@H]5C)O[C@@H]4CC)O[C@@H]3C)O[C@@H]2CC)C1=O
InChIInChI=1S/C75H134N2O27S/c1-18-22-27-52(78)28-26-30-77-58(80)44-56(70(77)81)105-43-42-93-39-38-91-36-37-92-40-41-94-45-57(79)76-29-33-90-35-34-89-31-24-23-25-32-95-63-55(21-4)100-75(69(87-16)66(63)84-13)104-62-51(10)97-74(68(86-15)65(62)83-12)102-60-47(6)49(8)72(99-54(60)20-3)103-61-50(9)96-73(67(85-14)64(61)82-11)101-59-46(5)48(7)71(88-17)98-53(59)19-2/h46-51,53-56,59-69,71-75H,18-45H2,1-17H3,(H,76,79)/t46-,47-,48-,49-,50+,51-,53-,54-,55-,56?,59+,60+,61-,62-,63-,64+,65+,66+,67-,68-,69-,71+,72-,73+,74+,75-/m1/s1
InChIKeyGYHRURMFJJGECP-HSIIBGKVSA-N
XLogP6.87
TPSA295.84 Ų
H-Bond Donors1
H-Bond Acceptors28
Rotatable Bonds53
Heavy Atoms105
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001527.95
LogP ≤ 56.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

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

Analyze 2-[2-[2-[2-[2-[2,5-dioxo-1-(4-oxooctyl)pyrrolidin-3-yl]sulfanylethoxy]ethoxy]ethoxy]ethoxy]-N-[2-[2-[5-[(2R,3R,4S,5R,6R)-2-ethyl-6-[(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6R)-2-ethyl-6-[(2S,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6S)-2-ethyl-6-methoxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]oxy-4,5-dimethoxyoxan-3-yl]oxypentoxy]ethoxy]ethyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-[2,5-dioxo-1-(4-oxooctyl)pyrrolidin-3-yl]sulfanylethoxy]ethoxy]ethoxy]ethoxy]-N-[2-[2-[5-[(2R,3R,4S,5R,6R)-2-ethyl-6-[(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6R)-2-ethyl-6-[(2S,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6S)-2-ethyl-6-methoxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]oxy-4,5-dimethoxyoxan-3-yl]oxypentoxy]ethoxy]ethyl]acetamide?
The IUPAC name of 2-[2-[2-[2-[2-[2,5-dioxo-1-(4-oxooctyl)pyrrolidin-3-yl]sulfanylethoxy]ethoxy]ethoxy]ethoxy]-N-[2-[2-[5-[(2R,3R,4S,5R,6R)-2-ethyl-6-[(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6R)-2-ethyl-6-[(2S,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6S)-2-ethyl-6-methoxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]oxy-4,5-dimethoxyoxan-3-yl]oxypentoxy]ethoxy]ethyl]acetamide (CID 59739711) is 2-[2-[2-[2-[2-[2,5-dioxo-1-(4-oxooctyl)pyrrolidin-3-yl]sulfanylethoxy]ethoxy]ethoxy]ethoxy]-N-[2-[2-[5-[(2R,3R,4S,5R,6R)-2-ethyl-6-[(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6R)-2-ethyl-6-[(2S,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6S)-2-ethyl-6-methoxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]oxy-4,5-dimethoxyoxan-3-yl]oxypentoxy]ethoxy]ethyl]acetamide.
What is the SMILES notation for 2-[2-[2-[2-[2-[2,5-dioxo-1-(4-oxooctyl)pyrrolidin-3-yl]sulfanylethoxy]ethoxy]ethoxy]ethoxy]-N-[2-[2-[5-[(2R,3R,4S,5R,6R)-2-ethyl-6-[(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6R)-2-ethyl-6-[(2S,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6S)-2-ethyl-6-methoxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]oxy-4,5-dimethoxyoxan-3-yl]oxypentoxy]ethoxy]ethyl]acetamide?
The canonical SMILES for 2-[2-[2-[2-[2-[2,5-dioxo-1-(4-oxooctyl)pyrrolidin-3-yl]sulfanylethoxy]ethoxy]ethoxy]ethoxy]-N-[2-[2-[5-[(2R,3R,4S,5R,6R)-2-ethyl-6-[(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6R)-2-ethyl-6-[(2S,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6S)-2-ethyl-6-methoxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]oxy-4,5-dimethoxyoxan-3-yl]oxypentoxy]ethoxy]ethyl]acetamide is CCCCC(=O)CCCN1C(=O)CC(SCCOCCOCCOCCOCC(=O)NCCOCCOCCCCCO[C@H]2[C@H](OC)[C@@H](OC)[C@@H](O[C@H]3[C@H](OC)[C@@H](OC)[C@H](O[C@H]4[C@H](C)[C@@H](C)[C@@H](O[C@H]5[C@H](OC)[C@@H](OC)[C@H](O[C@H]6[C@H](C)[C@@H](C)[C@@H](OC)O[C@@H]6CC)O[C@H]5C)O[C@@H]4CC)O[C@@H]3C)O[C@@H]2CC)C1=O.
What is the InChIKey of 2-[2-[2-[2-[2-[2,5-dioxo-1-(4-oxooctyl)pyrrolidin-3-yl]sulfanylethoxy]ethoxy]ethoxy]ethoxy]-N-[2-[2-[5-[(2R,3R,4S,5R,6R)-2-ethyl-6-[(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6R)-2-ethyl-6-[(2S,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6S)-2-ethyl-6-methoxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]oxy-4,5-dimethoxyoxan-3-yl]oxypentoxy]ethoxy]ethyl]acetamide?
The InChIKey is GYHRURMFJJGECP-HSIIBGKVSA-N. The full InChI is InChI=1S/C75H134N2O27S/c1-18-22-27-52(78)28-26-30-77-58(80)44-56(70(77)81)105-43-42-93-39-38-91-36-37-92-40-41-94-45-57(79)76-29-33-90-35-34-89-31-24-23-25-32-95-63-55(21-4)100-75(69(87-16)66(63)84-13)104-62-51(10)97-74(68(86-15)65(62)83-12)102-60-47(6)49(8)72(99-54(60)20-3)103-61-50(9)96-73(67(85-14)64(61)82-11)101-59-46(5)48(7)71(88-17)98-53(59)19-2/h46-51,53-56,59-69,71-75H,18-45H2,1-17H3,(H,76,79)/t46-,47-,48-,49-,50+,51-,53-,54-,55-,56?,59+,60+,61-,62-,63-,64+,65+,66+,67-,68-,69-,71+,72-,73+,74+,75-/m1/s1.
What are the key properties of 2-[2-[2-[2-[2-[2,5-dioxo-1-(4-oxooctyl)pyrrolidin-3-yl]sulfanylethoxy]ethoxy]ethoxy]ethoxy]-N-[2-[2-[5-[(2R,3R,4S,5R,6R)-2-ethyl-6-[(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6R)-2-ethyl-6-[(2S,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6S)-2-ethyl-6-methoxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]oxy-4,5-dimethoxyoxan-3-yl]oxypentoxy]ethoxy]ethyl]acetamide?
2-[2-[2-[2-[2-[2,5-dioxo-1-(4-oxooctyl)pyrrolidin-3-yl]sulfanylethoxy]ethoxy]ethoxy]ethoxy]-N-[2-[2-[5-[(2R,3R,4S,5R,6R)-2-ethyl-6-[(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6R)-2-ethyl-6-[(2S,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6S)-2-ethyl-6-methoxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]oxy-4,5-dimethoxyoxan-3-yl]oxypentoxy]ethoxy]ethyl]acetamide has a molecular weight of 1527.95 g/mol, XLogP of 6.87, 53 rotatable bonds, 1 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-[2,5-dioxo-1-(4-oxooctyl)pyrrolidin-3-yl]sulfanylethoxy]ethoxy]ethoxy]ethoxy]-N-[2-[2-[5-[(2R,3R,4S,5R,6R)-2-ethyl-6-[(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6R)-2-ethyl-6-[(2S,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6S)-2-ethyl-6-methoxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]oxy-4,5-dimethoxyoxan-3-yl]oxypentoxy]ethoxy]ethyl]acetamide is sourced from PubChem (CID 59739711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).