N-[(1S,2R,3R,4R,5S)-3-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-2-phenylmethoxy-5-(phenylmethoxyamino)-4-(phenylmethoxymethyl)cyclopentyl]acetamide

C58H65N3O10 — CID 11083576

IUPACN-[(1S,2R,3R,4R,5S)-3-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-2-phenylmethoxy-5-(phenylmethoxyamino)-4-(phenylmethoxymethyl)cyclopentyl]acetamide
SMILESCC(=O)N[C@H]1[C@@H](NOCc2ccccc2)[C@H](COCc2ccccc2)[C@@H](O[C@@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2NC(C)=O)[C@@H]1OCc1ccccc1
InChIInChI=1S/C58H65N3O10/c1-41(62)59-52-51(61-69-38-48-31-19-8-20-32-48)49(39-64-33-43-21-9-3-10-22-43)54(56(52)67-36-46-27-15-6-16-28-46)71-58-53(60-42(2)63)57(68-37-47-29-17-7-18-30-47)55(66-35-45-25-13-5-14-26-45)50(70-58)40-65-34-44-23-11-4-12-24-44/h3-32,49-58,61H,33-40H2,1-2H3,(H,59,62)(H,60,63)/t49-,50+,51-,52-,53+,54+,55+,56+,57+,58-/m0/s1
InChIKeyIVOSGKAHKSZGPS-IWPLVPPESA-N
MW964.17 g/mol
LogP8.02
Rot. Bonds25

About N-[(1S,2R,3R,4R,5S)-3-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-2-phenylmethoxy-5-(phenylmethoxyamino)-4-(phenylmethoxymethyl)cyclopentyl]acetamide

N-[(1S,2R,3R,4R,5S)-3-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-2-phenylmethoxy-5-(phenylmethoxyamino)-4-(phenylmethoxymethyl)cyclopentyl]acetamide (PubChem CID 11083576) has the molecular formula C58H65N3O10 and a molecular weight of 964.17 g/mol. Its IUPAC name is N-[(1S,2R,3R,4R,5S)-3-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-2-phenylmethoxy-5-(phenylmethoxyamino)-4-(phenylmethoxymethyl)cyclopentyl]acetamide.

Molecular Properties

Compound NameN-[(1S,2R,3R,4R,5S)-3-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-2-phenylmethoxy-5-(phenylmethoxyamino)-4-(phenylmethoxymethyl)cyclopentyl]acetamide
PubChem CID11083576
Molecular FormulaC58H65N3O10
Molecular Weight964.17 g/mol
Exact Mass963.47
IUPAC NameN-[(1S,2R,3R,4R,5S)-3-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-2-phenylmethoxy-5-(phenylmethoxyamino)-4-(phenylmethoxymethyl)cyclopentyl]acetamide
SMILESCC(=O)N[C@H]1[C@@H](NOCc2ccccc2)[C@H](COCc2ccccc2)[C@@H](O[C@@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2NC(C)=O)[C@@H]1OCc1ccccc1
InChIInChI=1S/C58H65N3O10/c1-41(62)59-52-51(61-69-38-48-31-19-8-20-32-48)49(39-64-33-43-21-9-3-10-22-43)54(56(52)67-36-46-27-15-6-16-28-46)71-58-53(60-42(2)63)57(68-37-47-29-17-7-18-30-47)55(66-35-45-25-13-5-14-26-45)50(70-58)40-65-34-44-23-11-4-12-24-44/h3-32,49-58,61H,33-40H2,1-2H3,(H,59,62)(H,60,63)/t49-,50+,51-,52-,53+,54+,55+,56+,57+,58-/m0/s1
InChIKeyIVOSGKAHKSZGPS-IWPLVPPESA-N
XLogP8.02
TPSA144.07 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds25
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500964.17
LogP ≤ 58.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(1S,2R,3R,4R,5S)-3-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-2-phenylmethoxy-5-(phenylmethoxyamino)-4-(phenylmethoxymethyl)cyclopentyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3R,4R,5S,6R)-2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
CID 45050683
N-[(3R,4R,5S,6R)-2-ethoxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
CID 102583190
[3-acetamido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl] acetate
CID 561002
N-[(2S,4R,5R)-2-phenoxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
CID 91612903
N-[(4R,5R)-2-phenoxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
CID 146030326
N-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5R,6R)-3-hydroxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-2,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
CID 122699309
[(2S,3R,4R,5R,6R)-3-acetamido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl] benzoate
CID 91699496
N-[(2S,3S,4R,5S,6R)-2,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-4-prop-2-enoxyoxan-3-yl]acetamide
CID 66860325
N-[(3S,4R,5S,6R)-2-methyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
CID 167040683
N-[(2R,3S,4R,5R,6R)-2-hydroxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
CID 124526322
[(2R,3R,4R,5S,6R)-3-acetamido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl] diethyl phosphate
CID 102400274
N-[(2S,3R,4R,5S,6R)-4,5-bis(phenylmethoxy)-2-[[(1R,2R,5R,6R)-2-phenylmethoxy-3,7-dioxabicyclo[4.1.0]heptan-5-yl]oxy]-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
CID 122392400

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R,3R,4R,5S)-3-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-2-phenylmethoxy-5-(phenylmethoxyamino)-4-(phenylmethoxymethyl)cyclopentyl]acetamide?
The IUPAC name of N-[(1S,2R,3R,4R,5S)-3-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-2-phenylmethoxy-5-(phenylmethoxyamino)-4-(phenylmethoxymethyl)cyclopentyl]acetamide (CID 11083576) is N-[(1S,2R,3R,4R,5S)-3-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-2-phenylmethoxy-5-(phenylmethoxyamino)-4-(phenylmethoxymethyl)cyclopentyl]acetamide.
What is the SMILES notation for N-[(1S,2R,3R,4R,5S)-3-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-2-phenylmethoxy-5-(phenylmethoxyamino)-4-(phenylmethoxymethyl)cyclopentyl]acetamide?
The canonical SMILES for N-[(1S,2R,3R,4R,5S)-3-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-2-phenylmethoxy-5-(phenylmethoxyamino)-4-(phenylmethoxymethyl)cyclopentyl]acetamide is CC(=O)N[C@H]1[C@@H](NOCc2ccccc2)[C@H](COCc2ccccc2)[C@@H](O[C@@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2NC(C)=O)[C@@H]1OCc1ccccc1.
What is the InChIKey of N-[(1S,2R,3R,4R,5S)-3-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-2-phenylmethoxy-5-(phenylmethoxyamino)-4-(phenylmethoxymethyl)cyclopentyl]acetamide?
The InChIKey is IVOSGKAHKSZGPS-IWPLVPPESA-N. The full InChI is InChI=1S/C58H65N3O10/c1-41(62)59-52-51(61-69-38-48-31-19-8-20-32-48)49(39-64-33-43-21-9-3-10-22-43)54(56(52)67-36-46-27-15-6-16-28-46)71-58-53(60-42(2)63)57(68-37-47-29-17-7-18-30-47)55(66-35-45-25-13-5-14-26-45)50(70-58)40-65-34-44-23-11-4-12-24-44/h3-32,49-58,61H,33-40H2,1-2H3,(H,59,62)(H,60,63)/t49-,50+,51-,52-,53+,54+,55+,56+,57+,58-/m0/s1.
What are the key properties of N-[(1S,2R,3R,4R,5S)-3-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-2-phenylmethoxy-5-(phenylmethoxyamino)-4-(phenylmethoxymethyl)cyclopentyl]acetamide?
N-[(1S,2R,3R,4R,5S)-3-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-2-phenylmethoxy-5-(phenylmethoxyamino)-4-(phenylmethoxymethyl)cyclopentyl]acetamide has a molecular weight of 964.17 g/mol, XLogP of 8.02, 25 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R,3R,4R,5S)-3-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-2-phenylmethoxy-5-(phenylmethoxyamino)-4-(phenylmethoxymethyl)cyclopentyl]acetamide is sourced from PubChem (CID 11083576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).