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)

C142H200N14O28 — CID 159239345

About 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)

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) (PubChem CID 159239345) has the molecular formula C142H200N14O28 and a molecular weight of 2627.70 g/mol. Its IUPAC name is 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).

Molecular Properties

• Compound Name: 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)
• PubChem CID: 159239345
• Molecular Formula: C142H200N14O28
• Molecular Weight: 2627.70 g/mol
• Exact Mass: 2625.94
• IUPAC Name: 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)
• SMILES: [2H]c1c([2H])c([2H])c2c(c1[2H])CCN(C)C(=O)[C@@]2([2H])NC(=O)[C@H](C)CC(=O)[C@@]([2H])(O)C(C)C.[2H]c1c([2H])c([2H])c2c(c1[2H])CCN(C)C(=O)[C@@]2([2H])NC(=O)[C@H](C)CC(=O)[C@@]([2H])(O)C(C)C.[2H]c1c([2H])c([2H])c2c(c1[2H])[C@H](NC(=O)[C@@]([2H])(C)CC(=O)[C@@]([2H])(O)C(C)C)C(=O)N(C)C([2H])([2H])C2([2H])[2H].[2H]c1c([2H])c([2H])c2c(c1[2H])[C@H](NC(=O)[C@]([2H])(C)CC(=O)[C@@]([2H])(O)C([2H])(C)C([2H])([2H])[2H])C(=O)N(C)C([2H])(C)C2([2H])[2H].[2H]c1c([2H])c([2H])c2c(c1[2H])[C@H](NC(=O)[C@]([2H])(C)CC(=O)[C@@]([2H])(O)C([2H])(C)C([2H])([2H])[2H])C(=O)N(C)C([2H])(C)C2([2H])[2H].[2H]c1c([2H])c([2H])c2c(c1[2H])[C@H](NC(=O)[C@]([2H])(C)CC(=O)[C@@]([2H])(O)C([2H])(C)C([2H])([2H])[2H])C(=O)N(C)C([2H])([2H])C2([2H])[2H].[2H]c1c([2H])c([2H])c2c(c1[2H])[C@H](NC(=O)[C@]([2H])(C)CC(=O)[C@@]([2H])(O)C([2H])(C)C([2H])([2H])[2H])C(=O)N(C)C([2H])([2H])C2([2H])[2H]
• InChI: InChI=1S/2C21H30N2O4.5C20H28N2O4/c2*1-12(2)19(25)17(24)10-13(3)20(26)22-18-16-9-7-6-8-15(16)11-14(4)23(5)21(18)27;5*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/h2*6-9,12-14,18-19,25H,10-11H2,1-5H3,(H,22,26);5*5-8,12-13,17-18,24H,9-11H2,1-4H3,(H,21,25)/t2*13-,14?,18+,19+;4*13-,17+,18+;13-,17-,18-/m1111110/s1/i2*1D3,6D,7D,8D,9D,11D2,12D,13D,14D,19D;2*1D3,5D,6D,7D,8D,9D2,10D2,12D,13D,18D;2*5D,6D,7D,8D,17D,18D;5D,6D,7D,8D,9D2,10D2,13D,18D/t2*12?,13-,14?,18+,19+;2*12?,13-,17+,18+;3m
• InChIKey: KTWNGLYFWZAILS-QRAHGNKWSA-N
• XLogP: 11.07
• TPSA: 606.97 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 28
• Rotatable Bonds: 46
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2627.70
LogP ≤ 5	11.07
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 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)?

The IUPAC name of 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) is 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).

What is the SMILES notation for 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)?

The canonical SMILES for 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) is [2H]c1c([2H])c([2H])c2c(c1[2H])CCN(C)C(=O)[C@@]2([2H])NC(=O)[C@H](C)CC(=O)[C@@]([2H])(O)C(C)C.[2H]c1c([2H])c([2H])c2c(c1[2H])CCN(C)C(=O)[C@@]2([2H])NC(=O)[C@H](C)CC(=O)[C@@]([2H])(O)C(C)C.[2H]c1c([2H])c([2H])c2c(c1[2H])[C@H](NC(=O)[C@@]([2H])(C)CC(=O)[C@@]([2H])(O)C(C)C)C(=O)N(C)C([2H])([2H])C2([2H])[2H].[2H]c1c([2H])c([2H])c2c(c1[2H])[C@H](NC(=O)[C@]([2H])(C)CC(=O)[C@@]([2H])(O)C([2H])(C)C([2H])([2H])[2H])C(=O)N(C)C([2H])(C)C2([2H])[2H].[2H]c1c([2H])c([2H])c2c(c1[2H])[C@H](NC(=O)[C@]([2H])(C)CC(=O)[C@@]([2H])(O)C([2H])(C)C([2H])([2H])[2H])C(=O)N(C)C([2H])(C)C2([2H])[2H].[2H]c1c([2H])c([2H])c2c(c1[2H])[C@H](NC(=O)[C@]([2H])(C)CC(=O)[C@@]([2H])(O)C([2H])(C)C([2H])([2H])[2H])C(=O)N(C)C([2H])([2H])C2([2H])[2H].[2H]c1c([2H])c([2H])c2c(c1[2H])[C@H](NC(=O)[C@]([2H])(C)CC(=O)[C@@]([2H])(O)C([2H])(C)C([2H])([2H])[2H])C(=O)N(C)C([2H])([2H])C2([2H])[2H].

What is the InChIKey of 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)?

The InChIKey is KTWNGLYFWZAILS-QRAHGNKWSA-N. The full InChI is InChI=1S/2C21H30N2O4.5C20H28N2O4/c2*1-12(2)19(25)17(24)10-13(3)20(26)22-18-16-9-7-6-8-15(16)11-14(4)23(5)21(18)27;5*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/h2*6-9,12-14,18-19,25H,10-11H2,1-5H3,(H,22,26);5*5-8,12-13,17-18,24H,9-11H2,1-4H3,(H,21,25)/t2*13-,14?,18+,19+;4*13-,17+,18+;13-,17-,18-/m1111110/s1/i2*1D3,6D,7D,8D,9D,11D2,12D,13D,14D,19D;2*1D3,5D,6D,7D,8D,9D2,10D2,12D,13D,18D;2*5D,6D,7D,8D,17D,18D;5D,6D,7D,8D,9D2,10D2,13D,18D/t2*12?,13-,14?,18+,19+;2*12?,13-,17+,18+;3m.

What are the key properties of 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)?

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) has a molecular weight of 2627.70 g/mol, XLogP of 11.07, 46 rotatable bonds, 14 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 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) is sourced from PubChem (CID 159239345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).