N-[(2S,3S,5S,7S)-1-amino-5-benzyl-3-hydroxy-8-methyl-6-oxo-7-(2-oxo-1,3-oxazolidin-3-yl)-1-phenylnonan-2-yl]-2-(2,6-dimethylphenoxy)acetamide

C36H45N3O6 — CID 70248154

About N-[(2S,3S,5S,7S)-1-amino-5-benzyl-3-hydroxy-8-methyl-6-oxo-7-(2-oxo-1,3-oxazolidin-3-yl)-1-phenylnonan-2-yl]-2-(2,6-dimethylphenoxy)acetamide

N-[(2S,3S,5S,7S)-1-amino-5-benzyl-3-hydroxy-8-methyl-6-oxo-7-(2-oxo-1,3-oxazolidin-3-yl)-1-phenylnonan-2-yl]-2-(2,6-dimethylphenoxy)acetamide (PubChem CID 70248154) has the molecular formula C36H45N3O6 and a molecular weight of 615.77 g/mol. Its IUPAC name is N-[(2S,3S,5S,7S)-1-amino-5-benzyl-3-hydroxy-8-methyl-6-oxo-7-(2-oxo-1,3-oxazolidin-3-yl)-1-phenylnonan-2-yl]-2-(2,6-dimethylphenoxy)acetamide.

Molecular Properties

• Compound Name: N-[(2S,3S,5S,7S)-1-amino-5-benzyl-3-hydroxy-8-methyl-6-oxo-7-(2-oxo-1,3-oxazolidin-3-yl)-1-phenylnonan-2-yl]-2-(2,6-dimethylphenoxy)acetamide
• PubChem CID: 70248154
• Molecular Formula: C36H45N3O6
• Molecular Weight: 615.77 g/mol
• Exact Mass: 615.33
• IUPAC Name: N-[(2S,3S,5S,7S)-1-amino-5-benzyl-3-hydroxy-8-methyl-6-oxo-7-(2-oxo-1,3-oxazolidin-3-yl)-1-phenylnonan-2-yl]-2-(2,6-dimethylphenoxy)acetamide
• SMILES: Cc1cccc(C)c1OCC(=O)N[C@@H](C(N)c1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)C(=O)[C@H](C(C)C)N1CCOC1=O
• InChI: InChI=1S/C36H45N3O6/c1-23(2)33(39-18-19-44-36(39)43)34(42)28(20-26-14-7-5-8-15-26)21-29(40)32(31(37)27-16-9-6-10-17-27)38-30(41)22-45-35-24(3)12-11-13-25(35)4/h5-17,23,28-29,31-33,40H,18-22,37H2,1-4H3,(H,38,41)/t28-,29-,31?,32+,33-/m0/s1
• InChIKey: VDBJTHBFGMNQNA-ULAUUTDUSA-N
• XLogP: 4.52
• TPSA: 131.19 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 15
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	615.77
LogP ≤ 5	4.52
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S,5S,7S)-1-amino-5-benzyl-3-hydroxy-8-methyl-6-oxo-7-(2-oxo-1,3-oxazolidin-3-yl)-1-phenylnonan-2-yl]-2-(2,6-dimethylphenoxy)acetamide?

The IUPAC name of N-[(2S,3S,5S,7S)-1-amino-5-benzyl-3-hydroxy-8-methyl-6-oxo-7-(2-oxo-1,3-oxazolidin-3-yl)-1-phenylnonan-2-yl]-2-(2,6-dimethylphenoxy)acetamide (CID 70248154) is N-[(2S,3S,5S,7S)-1-amino-5-benzyl-3-hydroxy-8-methyl-6-oxo-7-(2-oxo-1,3-oxazolidin-3-yl)-1-phenylnonan-2-yl]-2-(2,6-dimethylphenoxy)acetamide.

What is the SMILES notation for N-[(2S,3S,5S,7S)-1-amino-5-benzyl-3-hydroxy-8-methyl-6-oxo-7-(2-oxo-1,3-oxazolidin-3-yl)-1-phenylnonan-2-yl]-2-(2,6-dimethylphenoxy)acetamide?

The canonical SMILES for N-[(2S,3S,5S,7S)-1-amino-5-benzyl-3-hydroxy-8-methyl-6-oxo-7-(2-oxo-1,3-oxazolidin-3-yl)-1-phenylnonan-2-yl]-2-(2,6-dimethylphenoxy)acetamide is Cc1cccc(C)c1OCC(=O)N[C@@H](C(N)c1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)C(=O)[C@H](C(C)C)N1CCOC1=O.

What is the InChIKey of N-[(2S,3S,5S,7S)-1-amino-5-benzyl-3-hydroxy-8-methyl-6-oxo-7-(2-oxo-1,3-oxazolidin-3-yl)-1-phenylnonan-2-yl]-2-(2,6-dimethylphenoxy)acetamide?

The InChIKey is VDBJTHBFGMNQNA-ULAUUTDUSA-N. The full InChI is InChI=1S/C36H45N3O6/c1-23(2)33(39-18-19-44-36(39)43)34(42)28(20-26-14-7-5-8-15-26)21-29(40)32(31(37)27-16-9-6-10-17-27)38-30(41)22-45-35-24(3)12-11-13-25(35)4/h5-17,23,28-29,31-33,40H,18-22,37H2,1-4H3,(H,38,41)/t28-,29-,31?,32+,33-/m0/s1.

What are the key properties of N-[(2S,3S,5S,7S)-1-amino-5-benzyl-3-hydroxy-8-methyl-6-oxo-7-(2-oxo-1,3-oxazolidin-3-yl)-1-phenylnonan-2-yl]-2-(2,6-dimethylphenoxy)acetamide?

N-[(2S,3S,5S,7S)-1-amino-5-benzyl-3-hydroxy-8-methyl-6-oxo-7-(2-oxo-1,3-oxazolidin-3-yl)-1-phenylnonan-2-yl]-2-(2,6-dimethylphenoxy)acetamide has a molecular weight of 615.77 g/mol, XLogP of 4.52, 15 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S,3S,5S,7S)-1-amino-5-benzyl-3-hydroxy-8-methyl-6-oxo-7-(2-oxo-1,3-oxazolidin-3-yl)-1-phenylnonan-2-yl]-2-(2,6-dimethylphenoxy)acetamide is sourced from PubChem (CID 70248154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).