tetrakis((2R,5S)-2,5-dideuterio-5-hydroxy-2,6-dimethyl-4-oxo-N-[(5S)-1,1,5-trideuterio-3-methyl-4-oxo-2H-3-benzazepin-5-yl]heptanamide);tetrakis((2R,5S)-2,5,6,7,7,7-hexadeuterio-5-hydroxy-2,6-dimethyl-4-oxo-N-[(5S)-1,1,5-trideuterio-3-methyl-4-oxo-2H-3-benzazepin-5-yl]heptanamide)

C160H224N16O32 — CID 161119041

IUPACtetrakis((2R,5S)-2,5-dideuterio-5-hydroxy-2,6-dimethyl-4-oxo-N-[(5S)-1,1,5-trideuterio-3-methyl-4-oxo-2H-3-benzazepin-5-yl]heptanamide);tetrakis((2R,5S)-2,5,6,7,7,7-hexadeuterio-5-hydroxy-2,6-dimethyl-4-oxo-N-[(5S)-1,1,5-trideuterio-3-methyl-4-oxo-2H-3-benzazepin-5-yl]heptanamide)
SMILES[2H]C1([2H])CN(C)C(=O)[C@@]([2H])(NC(=O)[C@]([2H])(C)CC(=O)[C@@]([2H])(O)C(C)C)c2ccccc21.[2H]C1([2H])CN(C)C(=O)[C@@]([2H])(NC(=O)[C@]([2H])(C)CC(=O)[C@@]([2H])(O)C(C)C)c2ccccc21.[2H]C1([2H])CN(C)C(=O)[C@@]([2H])(NC(=O)[C@]([2H])(C)CC(=O)[C@@]([2H])(O)C(C)C)c2ccccc21.[2H]C1([2H])CN(C)C(=O)[C@@]([2H])(NC(=O)[C@]([2H])(C)CC(=O)[C@@]([2H])(O)C(C)C)c2ccccc21.[2H]C1([2H])CN(C)C(=O)[C@@]([2H])(NC(=O)[C@]([2H])(C)CC(=O)[C@@]([2H])(O)C([2H])(C)C([2H])([2H])[2H])c2ccccc21.[2H]C1([2H])CN(C)C(=O)[C@@]([2H])(NC(=O)[C@]([2H])(C)CC(=O)[C@@]([2H])(O)C([2H])(C)C([2H])([2H])[2H])c2ccccc21.[2H]C1([2H])CN(C)C(=O)[C@@]([2H])(NC(=O)[C@]([2H])(C)CC(=O)[C@@]([2H])(O)C([2H])(C)C([2H])([2H])[2H])c2ccccc21.[2H]C1([2H])CN(C)C(=O)[C@@]([2H])(NC(=O)[C@]([2H])(C)CC(=O)[C@@]([2H])(O)C([2H])(C)C([2H])([2H])[2H])c2ccccc21
InChIInChI=1S/8C20H28N2O4/c8*1-12(2)18(24)16(23)11-13(3)19(25)21-17-15-8-6-5-7-14(15)9-10-22(4)20(17)26/h8*5-8,12-13,17-18,24H,9-11H2,1-4H3,(H,21,25)/t8*13-,17+,18+/m11111111/s1/i4*1D3,9D2,12D,13D,17D,18D;4*9D2,13D,17D,18D/t4*12?,13-,17+,18+;4m
InChIKeyUKRYOQLGMSKJIN-SALHFNNUSA-N
MW2939.97 g/mol
LogP11.76
Rot. Bonds52

About tetrakis((2R,5S)-2,5-dideuterio-5-hydroxy-2,6-dimethyl-4-oxo-N-[(5S)-1,1,5-trideuterio-3-methyl-4-oxo-2H-3-benzazepin-5-yl]heptanamide);tetrakis((2R,5S)-2,5,6,7,7,7-hexadeuterio-5-hydroxy-2,6-dimethyl-4-oxo-N-[(5S)-1,1,5-trideuterio-3-methyl-4-oxo-2H-3-benzazepin-5-yl]heptanamide)

tetrakis((2R,5S)-2,5-dideuterio-5-hydroxy-2,6-dimethyl-4-oxo-N-[(5S)-1,1,5-trideuterio-3-methyl-4-oxo-2H-3-benzazepin-5-yl]heptanamide);tetrakis((2R,5S)-2,5,6,7,7,7-hexadeuterio-5-hydroxy-2,6-dimethyl-4-oxo-N-[(5S)-1,1,5-trideuterio-3-methyl-4-oxo-2H-3-benzazepin-5-yl]heptanamide) (PubChem CID 161119041) has the molecular formula C160H224N16O32 and a molecular weight of 2939.97 g/mol. Its IUPAC name is tetrakis((2R,5S)-2,5-dideuterio-5-hydroxy-2,6-dimethyl-4-oxo-N-[(5S)-1,1,5-trideuterio-3-methyl-4-oxo-2H-3-benzazepin-5-yl]heptanamide);tetrakis((2R,5S)-2,5,6,7,7,7-hexadeuterio-5-hydroxy-2,6-dimethyl-4-oxo-N-[(5S)-1,1,5-trideuterio-3-methyl-4-oxo-2H-3-benzazepin-5-yl]heptanamide).

Molecular Properties

Compound Nametetrakis((2R,5S)-2,5-dideuterio-5-hydroxy-2,6-dimethyl-4-oxo-N-[(5S)-1,1,5-trideuterio-3-methyl-4-oxo-2H-3-benzazepin-5-yl]heptanamide);tetrakis((2R,5S)-2,5,6,7,7,7-hexadeuterio-5-hydroxy-2,6-dimethyl-4-oxo-N-[(5S)-1,1,5-trideuterio-3-methyl-4-oxo-2H-3-benzazepin-5-yl]heptanamide)
PubChem CID161119041
Molecular FormulaC160H224N16O32
Molecular Weight2939.97 g/mol
Exact Mass2937.99
IUPAC Nametetrakis((2R,5S)-2,5-dideuterio-5-hydroxy-2,6-dimethyl-4-oxo-N-[(5S)-1,1,5-trideuterio-3-methyl-4-oxo-2H-3-benzazepin-5-yl]heptanamide);tetrakis((2R,5S)-2,5,6,7,7,7-hexadeuterio-5-hydroxy-2,6-dimethyl-4-oxo-N-[(5S)-1,1,5-trideuterio-3-methyl-4-oxo-2H-3-benzazepin-5-yl]heptanamide)
SMILES[2H]C1([2H])CN(C)C(=O)[C@@]([2H])(NC(=O)[C@]([2H])(C)CC(=O)[C@@]([2H])(O)C(C)C)c2ccccc21.[2H]C1([2H])CN(C)C(=O)[C@@]([2H])(NC(=O)[C@]([2H])(C)CC(=O)[C@@]([2H])(O)C(C)C)c2ccccc21.[2H]C1([2H])CN(C)C(=O)[C@@]([2H])(NC(=O)[C@]([2H])(C)CC(=O)[C@@]([2H])(O)C(C)C)c2ccccc21.[2H]C1([2H])CN(C)C(=O)[C@@]([2H])(NC(=O)[C@]([2H])(C)CC(=O)[C@@]([2H])(O)C(C)C)c2ccccc21.[2H]C1([2H])CN(C)C(=O)[C@@]([2H])(NC(=O)[C@]([2H])(C)CC(=O)[C@@]([2H])(O)C([2H])(C)C([2H])([2H])[2H])c2ccccc21.[2H]C1([2H])CN(C)C(=O)[C@@]([2H])(NC(=O)[C@]([2H])(C)CC(=O)[C@@]([2H])(O)C([2H])(C)C([2H])([2H])[2H])c2ccccc21.[2H]C1([2H])CN(C)C(=O)[C@@]([2H])(NC(=O)[C@]([2H])(C)CC(=O)[C@@]([2H])(O)C([2H])(C)C([2H])([2H])[2H])c2ccccc21.[2H]C1([2H])CN(C)C(=O)[C@@]([2H])(NC(=O)[C@]([2H])(C)CC(=O)[C@@]([2H])(O)C([2H])(C)C([2H])([2H])[2H])c2ccccc21
InChIInChI=1S/8C20H28N2O4/c8*1-12(2)18(24)16(23)11-13(3)19(25)21-17-15-8-6-5-7-14(15)9-10-22(4)20(17)26/h8*5-8,12-13,17-18,24H,9-11H2,1-4H3,(H,21,25)/t8*13-,17+,18+/m11111111/s1/i4*1D3,9D2,12D,13D,17D,18D;4*9D2,13D,17D,18D/t4*12?,13-,17+,18+;4m
InChIKeyUKRYOQLGMSKJIN-SALHFNNUSA-N
XLogP11.76
TPSA693.68 Ų
H-Bond Donors16
H-Bond Acceptors32
Rotatable Bonds52
Heavy Atoms208
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002939.97
LogP ≤ 511.76
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1032

Analyze tetrakis((2R,5S)-2,5-dideuterio-5-hydroxy-2,6-dimethyl-4-oxo-N-[(5S)-1,1,5-trideuterio-3-methyl-4-oxo-2H-3-benzazepin-5-yl]heptanamide);tetrakis((2R,5S)-2,5,6,7,7,7-hexadeuterio-5-hydroxy-2,6-dimethyl-4-oxo-N-[(5S)-1,1,5-trideuterio-3-methyl-4-oxo-2H-3-benzazepin-5-yl]heptanamide) 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

(2R,5S)-5,6,7,7,7-pentadeuterio-5-hydroxy-2,6-dimethyl-4-oxo-N-[(5S)-1,1,5-trideuterio-3-methyl-4-oxo-2H-3-benzazepin-5-yl]heptanamide
CID 58549743
(2R,5S)-5-deuterio-5-hydroxy-2,6-dimethyl-4-oxo-N-[(5S)-1,1,2,2,5-pentadeuterio-3-methyl-4-oxo-3-benzazepin-5-yl]heptanamide
CID 58549891
tris((2R,5S)-2-deuterio-N-[(1S)-5,5-dideuterio-3-methyl-2-oxo-1,4-dihydro-3-benzazepin-1-yl]-5-hydroxy-2,6-dimethyl-4-oxoheptanamide);bis((2R,5S)-2-deuterio-5-hydroxy-2,6-dimethyl-N-[(5S)-3-methyl-4-oxo-2,5-dihydro-1H-3-benzazepin-5-yl]-4-oxoheptanamide);tetrakis((2R,5S)-2,6,7,7,7-pentadeuterio-5-hydroxy-2,6-dimethyl-N-[(5S)-3-methyl-4-oxo-2,5-dihydro-1H-3-benzazepin-5-yl]-4-oxoheptanamide)
CID 159777637
(2R,5S)-5-deuterio-N-[(5S)-1,1,5,6,7,8,9-heptadeuterio-3-methyl-4-oxo-2H-3-benzazepin-5-yl]-5-hydroxy-2,6-dimethyl-4-oxoheptanamide
CID 58549820
(2R,5S)-2,5-dideuterio-N-[(5S)-2-deuterio-2,3-dimethyl-4-oxo-1,5-dihydro-3-benzazepin-5-yl]-5-hydroxy-2,6-dimethyl-4-oxoheptanamide
CID 58549840
bis((2R,5S)-5-deuterio-5-hydroxy-2,6-dimethyl-4-oxo-N-[(5S)-5,6,7,8,9-pentadeuterio-3-methyl-4-oxo-1,2-dihydro-3-benzazepin-5-yl]heptanamide);(2R,5S)-2,5-dideuterio-5-hydroxy-2,6-dimethyl-N-[(1S)-4,4,5,5,6,7,8,9-octadeuterio-3-methyl-2-oxo-1H-3-benzazepin-1-yl]-4-oxoheptanamide;bis((2R,5S)-2,5,6,7,7,7-hexadeuterio-N-[(1S)-4,5,5,6,7,8,9-heptadeuterio-3,4-dimethyl-2-oxo-1H-3-benzazepin-1-yl]-5-hydroxy-2,6-dimethyl-4-oxoheptanamide);bis((2R,5S)-2,5,6,7,7,7-hexadeuterio-5-hydroxy-2,6-dimethyl-N-[(1S)-4,4,5,5,6,7,8,9-octadeuterio-3-methyl-2-oxo-1H-3-benzazepin-1-yl]-4-oxoheptanamide)
CID 159239345
(2R,5S)-5-deuterio-N-[(1S)-5,5,6,7,8,9-hexadeuterio-3-methyl-2-oxo-1,4-dihydro-3-benzazepin-1-yl]-5-hydroxy-2,6-dimethyl-4-oxoheptanamide;(2R,5S)-5-deuterio-N-[(5S)-2,2,6,7,8,9-hexadeuterio-3-methyl-4-oxo-1,5-dihydro-3-benzazepin-5-yl]-5-hydroxy-2,6-dimethyl-4-oxoheptanamide;(2R,5S)-5-deuterio-5-hydroxy-2,6-dimethyl-4-oxo-N-[(5S)-2,6,7,8,9-pentadeuterio-2,3-dimethyl-4-oxo-1,5-dihydro-3-benzazepin-5-yl]heptanamide;tetrakis((2R,5S)-5,6,7,7,7-pentadeuterio-N-[(1S)-5,5,6,7,8,9-hexadeuterio-3-methyl-2-oxo-1,4-dihydro-3-benzazepin-1-yl]-5-hydroxy-2,6-dimethyl-4-oxoheptanamide)
CID 158676355
(2S)-3,4,4,4-tetradeuterio-N-[(2S)-1-[[(5S)-1,1,5,6,7,8,9-heptadeuterio-3-methyl-4-oxo-2H-3-benzazepin-5-yl]amino]-1-oxopropan-2-yl]-2-hydroxy-3-(trideuteriomethyl)butanamide
CID 54766957
tris((2R,5S)-5-deuterio-5-hydroxy-2,6-dimethyl-4-oxo-N-[(5S)-6,7,8,9-tetradeuterio-3-methyl-4-oxo-2,5-dihydro-1H-3-benzazepin-5-yl]heptanamide);(2R,5S)-5,6,7,7,7-pentadeuterio-5-hydroxy-2,6-dimethyl-4-oxo-N-[(5S)-6,7,8,9-tetradeuterio-3-methyl-4-oxo-2,5-dihydro-1H-3-benzazepin-5-yl]heptanamide;(2R,5S)-6,7,7,7-tetradeuterio-N-[(1S)-4,5,5,6,7,8,9-heptadeuterio-3,4-dimethyl-2-oxo-1H-3-benzazepin-1-yl]-5-hydroxy-2,6-dimethyl-4-oxoheptanamide;bis((2R,5S)-6,7,7,7-tetradeuterio-5-hydroxy-2,6-dimethyl-N-[(1S)-4,4,5,5,6,7,8,9-octadeuterio-3-methyl-2-oxo-1H-3-benzazepin-1-yl]-4-oxoheptanamide)
CID 158676352
(2R,5S)-5-hydroxy-2,6-dimethyl-4-oxo-N-[(1S)-4,4,5,5-tetradeuterio-3-methyl-2-oxo-1H-3-benzazepin-1-yl]heptanamide
CID 58549796
(2S)-2,3,4,4,4-pentadeuterio-2-hydroxy-3-(trideuteriomethyl)-N-[(2S)-1,1,1-trideuterio-3-oxo-3-[[(5S)-5,6,7,8,9-pentadeuterio-3-methyl-4-oxo-1,2-dihydro-3-benzazepin-5-yl]amino]propan-2-yl]butanamide
CID 54766189
(2R,5S)-5-deuterio-N-[(5S)-2,5,6,7,8,9-hexadeuterio-2,3-dimethyl-4-oxo-1H-3-benzazepin-5-yl]-5-hydroxy-2,6-dimethyl-4-oxoheptanamide
CID 58549879

Frequently Asked Questions

What is the IUPAC name of tetrakis((2R,5S)-2,5-dideuterio-5-hydroxy-2,6-dimethyl-4-oxo-N-[(5S)-1,1,5-trideuterio-3-methyl-4-oxo-2H-3-benzazepin-5-yl]heptanamide);tetrakis((2R,5S)-2,5,6,7,7,7-hexadeuterio-5-hydroxy-2,6-dimethyl-4-oxo-N-[(5S)-1,1,5-trideuterio-3-methyl-4-oxo-2H-3-benzazepin-5-yl]heptanamide)?
The IUPAC name of tetrakis((2R,5S)-2,5-dideuterio-5-hydroxy-2,6-dimethyl-4-oxo-N-[(5S)-1,1,5-trideuterio-3-methyl-4-oxo-2H-3-benzazepin-5-yl]heptanamide);tetrakis((2R,5S)-2,5,6,7,7,7-hexadeuterio-5-hydroxy-2,6-dimethyl-4-oxo-N-[(5S)-1,1,5-trideuterio-3-methyl-4-oxo-2H-3-benzazepin-5-yl]heptanamide) (CID 161119041) is tetrakis((2R,5S)-2,5-dideuterio-5-hydroxy-2,6-dimethyl-4-oxo-N-[(5S)-1,1,5-trideuterio-3-methyl-4-oxo-2H-3-benzazepin-5-yl]heptanamide);tetrakis((2R,5S)-2,5,6,7,7,7-hexadeuterio-5-hydroxy-2,6-dimethyl-4-oxo-N-[(5S)-1,1,5-trideuterio-3-methyl-4-oxo-2H-3-benzazepin-5-yl]heptanamide).
What is the SMILES notation for tetrakis((2R,5S)-2,5-dideuterio-5-hydroxy-2,6-dimethyl-4-oxo-N-[(5S)-1,1,5-trideuterio-3-methyl-4-oxo-2H-3-benzazepin-5-yl]heptanamide);tetrakis((2R,5S)-2,5,6,7,7,7-hexadeuterio-5-hydroxy-2,6-dimethyl-4-oxo-N-[(5S)-1,1,5-trideuterio-3-methyl-4-oxo-2H-3-benzazepin-5-yl]heptanamide)?
The canonical SMILES for tetrakis((2R,5S)-2,5-dideuterio-5-hydroxy-2,6-dimethyl-4-oxo-N-[(5S)-1,1,5-trideuterio-3-methyl-4-oxo-2H-3-benzazepin-5-yl]heptanamide);tetrakis((2R,5S)-2,5,6,7,7,7-hexadeuterio-5-hydroxy-2,6-dimethyl-4-oxo-N-[(5S)-1,1,5-trideuterio-3-methyl-4-oxo-2H-3-benzazepin-5-yl]heptanamide) is [2H]C1([2H])CN(C)C(=O)[C@@]([2H])(NC(=O)[C@]([2H])(C)CC(=O)[C@@]([2H])(O)C(C)C)c2ccccc21.[2H]C1([2H])CN(C)C(=O)[C@@]([2H])(NC(=O)[C@]([2H])(C)CC(=O)[C@@]([2H])(O)C(C)C)c2ccccc21.[2H]C1([2H])CN(C)C(=O)[C@@]([2H])(NC(=O)[C@]([2H])(C)CC(=O)[C@@]([2H])(O)C(C)C)c2ccccc21.[2H]C1([2H])CN(C)C(=O)[C@@]([2H])(NC(=O)[C@]([2H])(C)CC(=O)[C@@]([2H])(O)C(C)C)c2ccccc21.[2H]C1([2H])CN(C)C(=O)[C@@]([2H])(NC(=O)[C@]([2H])(C)CC(=O)[C@@]([2H])(O)C([2H])(C)C([2H])([2H])[2H])c2ccccc21.[2H]C1([2H])CN(C)C(=O)[C@@]([2H])(NC(=O)[C@]([2H])(C)CC(=O)[C@@]([2H])(O)C([2H])(C)C([2H])([2H])[2H])c2ccccc21.[2H]C1([2H])CN(C)C(=O)[C@@]([2H])(NC(=O)[C@]([2H])(C)CC(=O)[C@@]([2H])(O)C([2H])(C)C([2H])([2H])[2H])c2ccccc21.[2H]C1([2H])CN(C)C(=O)[C@@]([2H])(NC(=O)[C@]([2H])(C)CC(=O)[C@@]([2H])(O)C([2H])(C)C([2H])([2H])[2H])c2ccccc21.
What is the InChIKey of tetrakis((2R,5S)-2,5-dideuterio-5-hydroxy-2,6-dimethyl-4-oxo-N-[(5S)-1,1,5-trideuterio-3-methyl-4-oxo-2H-3-benzazepin-5-yl]heptanamide);tetrakis((2R,5S)-2,5,6,7,7,7-hexadeuterio-5-hydroxy-2,6-dimethyl-4-oxo-N-[(5S)-1,1,5-trideuterio-3-methyl-4-oxo-2H-3-benzazepin-5-yl]heptanamide)?
The InChIKey is UKRYOQLGMSKJIN-SALHFNNUSA-N. The full InChI is InChI=1S/8C20H28N2O4/c8*1-12(2)18(24)16(23)11-13(3)19(25)21-17-15-8-6-5-7-14(15)9-10-22(4)20(17)26/h8*5-8,12-13,17-18,24H,9-11H2,1-4H3,(H,21,25)/t8*13-,17+,18+/m11111111/s1/i4*1D3,9D2,12D,13D,17D,18D;4*9D2,13D,17D,18D/t4*12?,13-,17+,18+;4m.
What are the key properties of tetrakis((2R,5S)-2,5-dideuterio-5-hydroxy-2,6-dimethyl-4-oxo-N-[(5S)-1,1,5-trideuterio-3-methyl-4-oxo-2H-3-benzazepin-5-yl]heptanamide);tetrakis((2R,5S)-2,5,6,7,7,7-hexadeuterio-5-hydroxy-2,6-dimethyl-4-oxo-N-[(5S)-1,1,5-trideuterio-3-methyl-4-oxo-2H-3-benzazepin-5-yl]heptanamide)?
tetrakis((2R,5S)-2,5-dideuterio-5-hydroxy-2,6-dimethyl-4-oxo-N-[(5S)-1,1,5-trideuterio-3-methyl-4-oxo-2H-3-benzazepin-5-yl]heptanamide);tetrakis((2R,5S)-2,5,6,7,7,7-hexadeuterio-5-hydroxy-2,6-dimethyl-4-oxo-N-[(5S)-1,1,5-trideuterio-3-methyl-4-oxo-2H-3-benzazepin-5-yl]heptanamide) has a molecular weight of 2939.97 g/mol, XLogP of 11.76, 52 rotatable bonds, 16 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis((2R,5S)-2,5-dideuterio-5-hydroxy-2,6-dimethyl-4-oxo-N-[(5S)-1,1,5-trideuterio-3-methyl-4-oxo-2H-3-benzazepin-5-yl]heptanamide);tetrakis((2R,5S)-2,5,6,7,7,7-hexadeuterio-5-hydroxy-2,6-dimethyl-4-oxo-N-[(5S)-1,1,5-trideuterio-3-methyl-4-oxo-2H-3-benzazepin-5-yl]heptanamide) is sourced from PubChem (CID 161119041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).