benzyl 2-[(2S)-1-[2-[(2S)-1-[2-[(2S)-1-[2-[(2S)-1-[2-[(2S)-1-[2-[(2S)-1-acetylpyrrolidin-2-yl]acetyl]pyrrolidin-2-yl]acetyl]pyrrolidin-2-yl]acetyl]pyrrolidin-2-yl]acetyl]pyrrolidin-2-yl]acetyl]pyrrolidin-2-yl]acetate

C45H64N6O8 — CID 100993644

IUPACbenzyl 2-[(2S)-1-[2-[(2S)-1-[2-[(2S)-1-[2-[(2S)-1-[2-[(2S)-1-[2-[(2S)-1-acetylpyrrolidin-2-yl]acetyl]pyrrolidin-2-yl]acetyl]pyrrolidin-2-yl]acetyl]pyrrolidin-2-yl]acetyl]pyrrolidin-2-yl]acetyl]pyrrolidin-2-yl]acetate
SMILESCC(=O)N1CCC[C@H]1CC(=O)N1CCC[C@H]1CC(=O)N1CCC[C@H]1CC(=O)N1CCC[C@H]1CC(=O)N1CCC[C@H]1CC(=O)N1CCC[C@H]1CC(=O)OCc1ccccc1
InChIInChI=1S/C45H64N6O8/c1-32(52)46-19-5-13-34(46)25-40(53)47-20-6-14-35(47)26-41(54)48-21-7-15-36(48)27-42(55)49-22-8-16-37(49)28-43(56)50-23-9-17-38(50)29-44(57)51-24-10-18-39(51)30-45(58)59-31-33-11-3-2-4-12-33/h2-4,11-12,34-39H,5-10,13-31H2,1H3/t34-,35-,36-,37-,38-,39-/m0/s1
InChIKeyRVTYAQULUUZHLB-BGBFCPIGSA-N
MW817.04 g/mol
LogP4.04
Rot. Bonds14

About benzyl 2-[(2S)-1-[2-[(2S)-1-[2-[(2S)-1-[2-[(2S)-1-[2-[(2S)-1-[2-[(2S)-1-acetylpyrrolidin-2-yl]acetyl]pyrrolidin-2-yl]acetyl]pyrrolidin-2-yl]acetyl]pyrrolidin-2-yl]acetyl]pyrrolidin-2-yl]acetyl]pyrrolidin-2-yl]acetate

benzyl 2-[(2S)-1-[2-[(2S)-1-[2-[(2S)-1-[2-[(2S)-1-[2-[(2S)-1-[2-[(2S)-1-acetylpyrrolidin-2-yl]acetyl]pyrrolidin-2-yl]acetyl]pyrrolidin-2-yl]acetyl]pyrrolidin-2-yl]acetyl]pyrrolidin-2-yl]acetyl]pyrrolidin-2-yl]acetate (PubChem CID 100993644) has the molecular formula C45H64N6O8 and a molecular weight of 817.04 g/mol. Its IUPAC name is benzyl 2-[(2S)-1-[2-[(2S)-1-[2-[(2S)-1-[2-[(2S)-1-[2-[(2S)-1-[2-[(2S)-1-acetylpyrrolidin-2-yl]acetyl]pyrrolidin-2-yl]acetyl]pyrrolidin-2-yl]acetyl]pyrrolidin-2-yl]acetyl]pyrrolidin-2-yl]acetyl]pyrrolidin-2-yl]acetate.

Molecular Properties

Compound Namebenzyl 2-[(2S)-1-[2-[(2S)-1-[2-[(2S)-1-[2-[(2S)-1-[2-[(2S)-1-[2-[(2S)-1-acetylpyrrolidin-2-yl]acetyl]pyrrolidin-2-yl]acetyl]pyrrolidin-2-yl]acetyl]pyrrolidin-2-yl]acetyl]pyrrolidin-2-yl]acetyl]pyrrolidin-2-yl]acetate
PubChem CID100993644
Molecular FormulaC45H64N6O8
Molecular Weight817.04 g/mol
Exact Mass816.48
IUPAC Namebenzyl 2-[(2S)-1-[2-[(2S)-1-[2-[(2S)-1-[2-[(2S)-1-[2-[(2S)-1-[2-[(2S)-1-acetylpyrrolidin-2-yl]acetyl]pyrrolidin-2-yl]acetyl]pyrrolidin-2-yl]acetyl]pyrrolidin-2-yl]acetyl]pyrrolidin-2-yl]acetyl]pyrrolidin-2-yl]acetate
SMILESCC(=O)N1CCC[C@H]1CC(=O)N1CCC[C@H]1CC(=O)N1CCC[C@H]1CC(=O)N1CCC[C@H]1CC(=O)N1CCC[C@H]1CC(=O)N1CCC[C@H]1CC(=O)OCc1ccccc1
InChIInChI=1S/C45H64N6O8/c1-32(52)46-19-5-13-34(46)25-40(53)47-20-6-14-35(47)26-41(54)48-21-7-15-36(48)27-42(55)49-22-8-16-37(49)28-43(56)50-23-9-17-38(50)29-44(57)51-24-10-18-39(51)30-45(58)59-31-33-11-3-2-4-12-33/h2-4,11-12,34-39H,5-10,13-31H2,1H3/t34-,35-,36-,37-,38-,39-/m0/s1
InChIKeyRVTYAQULUUZHLB-BGBFCPIGSA-N
XLogP4.04
TPSA148.16 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms59
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500817.04
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze benzyl 2-[(2S)-1-[2-[(2S)-1-[2-[(2S)-1-[2-[(2S)-1-[2-[(2S)-1-[2-[(2S)-1-acetylpyrrolidin-2-yl]acetyl]pyrrolidin-2-yl]acetyl]pyrrolidin-2-yl]acetyl]pyrrolidin-2-yl]acetyl]pyrrolidin-2-yl]acetyl]pyrrolidin-2-yl]acetate with MolForge

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Related Compounds

benzyl (2S)-2-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate
CID 86319274
benzyl 4-(2-ethylpiperidin-1-yl)-4-oxobutanoate
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benzyl (2S)-2-phenacylpyrrolidine-1-carboxylate
CID 164675638
benzyl 3-[(2R)-1-(2-chloroacetyl)piperidin-2-yl]propanoate
CID 159798901
2-[(2S)-1-acetylpiperidin-2-yl]-1-[(4S)-4-phenylazepan-1-yl]ethanone
CID 95174940
benzyl (2R)-2-acetylpiperidine-1-carboxylate
CID 89477385
benzyl (2S)-2-(2-methylpropyl)pyrrolidine-1-carboxylate
CID 58597841
benzyl (2R)-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carboxylate
CID 101038867
benzyl 2-(acetyloxymethyl)piperidine-1-carboxylate
CID 23212404
benzyl 2-(2-oxoheptyl)pyrrolidine-1-carboxylate
CID 11012572
benzyl 2,4-dimethylazepane-1-carboxylate
CID 118248110
benzyl (2S)-1-[6-oxo-6-[(2S)-2-phenylmethoxycarbonylpyrrolidin-1-yl]hexanoyl]pyrrolidine-2-carboxylate
CID 54052130

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[(2S)-1-[2-[(2S)-1-[2-[(2S)-1-[2-[(2S)-1-[2-[(2S)-1-[2-[(2S)-1-acetylpyrrolidin-2-yl]acetyl]pyrrolidin-2-yl]acetyl]pyrrolidin-2-yl]acetyl]pyrrolidin-2-yl]acetyl]pyrrolidin-2-yl]acetyl]pyrrolidin-2-yl]acetate?
The IUPAC name of benzyl 2-[(2S)-1-[2-[(2S)-1-[2-[(2S)-1-[2-[(2S)-1-[2-[(2S)-1-[2-[(2S)-1-acetylpyrrolidin-2-yl]acetyl]pyrrolidin-2-yl]acetyl]pyrrolidin-2-yl]acetyl]pyrrolidin-2-yl]acetyl]pyrrolidin-2-yl]acetyl]pyrrolidin-2-yl]acetate (CID 100993644) is benzyl 2-[(2S)-1-[2-[(2S)-1-[2-[(2S)-1-[2-[(2S)-1-[2-[(2S)-1-[2-[(2S)-1-acetylpyrrolidin-2-yl]acetyl]pyrrolidin-2-yl]acetyl]pyrrolidin-2-yl]acetyl]pyrrolidin-2-yl]acetyl]pyrrolidin-2-yl]acetyl]pyrrolidin-2-yl]acetate.
What is the SMILES notation for benzyl 2-[(2S)-1-[2-[(2S)-1-[2-[(2S)-1-[2-[(2S)-1-[2-[(2S)-1-[2-[(2S)-1-acetylpyrrolidin-2-yl]acetyl]pyrrolidin-2-yl]acetyl]pyrrolidin-2-yl]acetyl]pyrrolidin-2-yl]acetyl]pyrrolidin-2-yl]acetyl]pyrrolidin-2-yl]acetate?
The canonical SMILES for benzyl 2-[(2S)-1-[2-[(2S)-1-[2-[(2S)-1-[2-[(2S)-1-[2-[(2S)-1-[2-[(2S)-1-acetylpyrrolidin-2-yl]acetyl]pyrrolidin-2-yl]acetyl]pyrrolidin-2-yl]acetyl]pyrrolidin-2-yl]acetyl]pyrrolidin-2-yl]acetyl]pyrrolidin-2-yl]acetate is CC(=O)N1CCC[C@H]1CC(=O)N1CCC[C@H]1CC(=O)N1CCC[C@H]1CC(=O)N1CCC[C@H]1CC(=O)N1CCC[C@H]1CC(=O)N1CCC[C@H]1CC(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-[(2S)-1-[2-[(2S)-1-[2-[(2S)-1-[2-[(2S)-1-[2-[(2S)-1-[2-[(2S)-1-acetylpyrrolidin-2-yl]acetyl]pyrrolidin-2-yl]acetyl]pyrrolidin-2-yl]acetyl]pyrrolidin-2-yl]acetyl]pyrrolidin-2-yl]acetyl]pyrrolidin-2-yl]acetate?
The InChIKey is RVTYAQULUUZHLB-BGBFCPIGSA-N. The full InChI is InChI=1S/C45H64N6O8/c1-32(52)46-19-5-13-34(46)25-40(53)47-20-6-14-35(47)26-41(54)48-21-7-15-36(48)27-42(55)49-22-8-16-37(49)28-43(56)50-23-9-17-38(50)29-44(57)51-24-10-18-39(51)30-45(58)59-31-33-11-3-2-4-12-33/h2-4,11-12,34-39H,5-10,13-31H2,1H3/t34-,35-,36-,37-,38-,39-/m0/s1.
What are the key properties of benzyl 2-[(2S)-1-[2-[(2S)-1-[2-[(2S)-1-[2-[(2S)-1-[2-[(2S)-1-[2-[(2S)-1-acetylpyrrolidin-2-yl]acetyl]pyrrolidin-2-yl]acetyl]pyrrolidin-2-yl]acetyl]pyrrolidin-2-yl]acetyl]pyrrolidin-2-yl]acetyl]pyrrolidin-2-yl]acetate?
benzyl 2-[(2S)-1-[2-[(2S)-1-[2-[(2S)-1-[2-[(2S)-1-[2-[(2S)-1-[2-[(2S)-1-acetylpyrrolidin-2-yl]acetyl]pyrrolidin-2-yl]acetyl]pyrrolidin-2-yl]acetyl]pyrrolidin-2-yl]acetyl]pyrrolidin-2-yl]acetyl]pyrrolidin-2-yl]acetate has a molecular weight of 817.04 g/mol, XLogP of 4.04, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[(2S)-1-[2-[(2S)-1-[2-[(2S)-1-[2-[(2S)-1-[2-[(2S)-1-[2-[(2S)-1-acetylpyrrolidin-2-yl]acetyl]pyrrolidin-2-yl]acetyl]pyrrolidin-2-yl]acetyl]pyrrolidin-2-yl]acetyl]pyrrolidin-2-yl]acetyl]pyrrolidin-2-yl]acetate is sourced from PubChem (CID 100993644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).