tert-butyl N-benzyl-N-[(2R,3S)-3-benzyl-2-hydroxy-4-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-4-oxobutyl]carbamate

C33H38N2O6 — CID 15714170

About tert-butyl N-benzyl-N-[(2R,3S)-3-benzyl-2-hydroxy-4-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-4-oxobutyl]carbamate

tert-butyl N-benzyl-N-[(2R,3S)-3-benzyl-2-hydroxy-4-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-4-oxobutyl]carbamate (PubChem CID 15714170) has the molecular formula C33H38N2O6 and a molecular weight of 558.68 g/mol. Its IUPAC name is tert-butyl N-benzyl-N-[(2R,3S)-3-benzyl-2-hydroxy-4-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-4-oxobutyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-benzyl-N-[(2R,3S)-3-benzyl-2-hydroxy-4-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-4-oxobutyl]carbamate
• PubChem CID: 15714170
• Molecular Formula: C33H38N2O6
• Molecular Weight: 558.68 g/mol
• Exact Mass: 558.27
• IUPAC Name: tert-butyl N-benzyl-N-[(2R,3S)-3-benzyl-2-hydroxy-4-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-4-oxobutyl]carbamate
• SMILES: C[C@@H]1[C@H](c2ccccc2)OC(=O)N1C(=O)[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccccc1)C(=O)OC(C)(C)C
• InChI: InChI=1S/C33H38N2O6/c1-23-29(26-18-12-7-13-19-26)40-32(39)35(23)30(37)27(20-24-14-8-5-9-15-24)28(36)22-34(31(38)41-33(2,3)4)21-25-16-10-6-11-17-25/h5-19,23,27-29,36H,20-22H2,1-4H3/t23-,27+,28+,29-/m1/s1
• InChIKey: YDKRQNVJJUTWFR-FQYQUSJJSA-N
• XLogP: 5.75
• TPSA: 96.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	558.68
LogP ≤ 5	5.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-benzyl-N-[(2R,3S)-3-benzyl-2-hydroxy-4-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-4-oxobutyl]carbamate?

The IUPAC name of tert-butyl N-benzyl-N-[(2R,3S)-3-benzyl-2-hydroxy-4-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-4-oxobutyl]carbamate (CID 15714170) is tert-butyl N-benzyl-N-[(2R,3S)-3-benzyl-2-hydroxy-4-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-4-oxobutyl]carbamate.

What is the SMILES notation for tert-butyl N-benzyl-N-[(2R,3S)-3-benzyl-2-hydroxy-4-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-4-oxobutyl]carbamate?

The canonical SMILES for tert-butyl N-benzyl-N-[(2R,3S)-3-benzyl-2-hydroxy-4-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-4-oxobutyl]carbamate is C[C@@H]1[C@H](c2ccccc2)OC(=O)N1C(=O)[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccccc1)C(=O)OC(C)(C)C.

What is the InChIKey of tert-butyl N-benzyl-N-[(2R,3S)-3-benzyl-2-hydroxy-4-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-4-oxobutyl]carbamate?

The InChIKey is YDKRQNVJJUTWFR-FQYQUSJJSA-N. The full InChI is InChI=1S/C33H38N2O6/c1-23-29(26-18-12-7-13-19-26)40-32(39)35(23)30(37)27(20-24-14-8-5-9-15-24)28(36)22-34(31(38)41-33(2,3)4)21-25-16-10-6-11-17-25/h5-19,23,27-29,36H,20-22H2,1-4H3/t23-,27+,28+,29-/m1/s1.

What are the key properties of tert-butyl N-benzyl-N-[(2R,3S)-3-benzyl-2-hydroxy-4-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-4-oxobutyl]carbamate?

tert-butyl N-benzyl-N-[(2R,3S)-3-benzyl-2-hydroxy-4-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-4-oxobutyl]carbamate has a molecular weight of 558.68 g/mol, XLogP of 5.75, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-benzyl-N-[(2R,3S)-3-benzyl-2-hydroxy-4-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-4-oxobutyl]carbamate is sourced from PubChem (CID 15714170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).