(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)

C141H198N14O28 — CID 158676355

IUPAC(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)
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])CC([2H])(C)N(C)C(=O)[C@H]2NC(=O)[C@H](C)CC(=O)[C@@]([2H])(O)C(C)C.[2H]c1c([2H])c([2H])c2c(c1[2H])CC([2H])([2H])N(C)C(=O)[C@H]2NC(=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@H](C)CC(=O)[C@@]([2H])(O)C(C)C)C(=O)N(C)CC2([2H])[2H].[2H]c1c([2H])c([2H])c2c(c1[2H])[C@H](NC(=O)[C@H](C)CC(=O)[C@@]([2H])(O)C([2H])(C)C([2H])([2H])[2H])C(=O)N(C)CC2([2H])[2H].[2H]c1c([2H])c([2H])c2c(c1[2H])[C@H](NC(=O)[C@H](C)CC(=O)[C@@]([2H])(O)C([2H])(C)C([2H])([2H])[2H])C(=O)N(C)CC2([2H])[2H].[2H]c1c([2H])c([2H])c2c(c1[2H])[C@H](NC(=O)[C@H](C)CC(=O)[C@@]([2H])(O)C([2H])(C)C([2H])([2H])[2H])C(=O)N(C)CC2([2H])[2H].[2H]c1c([2H])c([2H])c2c(c1[2H])[C@H](NC(=O)[C@H](C)CC(=O)[C@@]([2H])(O)C([2H])(C)C([2H])([2H])[2H])C(=O)N(C)CC2([2H])[2H]
InChIInChI=1S/C21H30N2O4.6C20H28N2O4/c1-12(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;6*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/h6-9,12-14,18-19,25H,10-11H2,1-5H3,(H,22,26);6*5-8,12-13,17-18,24H,9-11H2,1-4H3,(H,21,25)/t13-,14?,18+,19+;6*13-,17+,18+/m1111111/s1/i6D,7D,8D,9D,14D,19D;4*1D3,5D,6D,7D,8D,9D2,12D,18D;5D,6D,7D,8D,10D2,18D;5D,6D,7D,8D,9D2,18D/tm;4*12?,13-,17+,18+;2m
InChIKeyIEOKKYHIPDFHDK-WBWNGNOTSA-N
MW2601.60 g/mol
LogP10.68
Rot. Bonds46

About (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)

(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) (PubChem CID 158676355) has the molecular formula C141H198N14O28 and a molecular weight of 2601.60 g/mol. Its IUPAC name is (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).

Molecular Properties

Compound Name(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)
PubChem CID158676355
Molecular FormulaC141H198N14O28
Molecular Weight2601.60 g/mol
Exact Mass2599.85
IUPAC Name(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)
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])CC([2H])(C)N(C)C(=O)[C@H]2NC(=O)[C@H](C)CC(=O)[C@@]([2H])(O)C(C)C.[2H]c1c([2H])c([2H])c2c(c1[2H])CC([2H])([2H])N(C)C(=O)[C@H]2NC(=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@H](C)CC(=O)[C@@]([2H])(O)C(C)C)C(=O)N(C)CC2([2H])[2H].[2H]c1c([2H])c([2H])c2c(c1[2H])[C@H](NC(=O)[C@H](C)CC(=O)[C@@]([2H])(O)C([2H])(C)C([2H])([2H])[2H])C(=O)N(C)CC2([2H])[2H].[2H]c1c([2H])c([2H])c2c(c1[2H])[C@H](NC(=O)[C@H](C)CC(=O)[C@@]([2H])(O)C([2H])(C)C([2H])([2H])[2H])C(=O)N(C)CC2([2H])[2H].[2H]c1c([2H])c([2H])c2c(c1[2H])[C@H](NC(=O)[C@H](C)CC(=O)[C@@]([2H])(O)C([2H])(C)C([2H])([2H])[2H])C(=O)N(C)CC2([2H])[2H].[2H]c1c([2H])c([2H])c2c(c1[2H])[C@H](NC(=O)[C@H](C)CC(=O)[C@@]([2H])(O)C([2H])(C)C([2H])([2H])[2H])C(=O)N(C)CC2([2H])[2H]
InChIInChI=1S/C21H30N2O4.6C20H28N2O4/c1-12(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;6*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/h6-9,12-14,18-19,25H,10-11H2,1-5H3,(H,22,26);6*5-8,12-13,17-18,24H,9-11H2,1-4H3,(H,21,25)/t13-,14?,18+,19+;6*13-,17+,18+/m1111111/s1/i6D,7D,8D,9D,14D,19D;4*1D3,5D,6D,7D,8D,9D2,12D,18D;5D,6D,7D,8D,10D2,18D;5D,6D,7D,8D,9D2,18D/tm;4*12?,13-,17+,18+;2m
InChIKeyIEOKKYHIPDFHDK-WBWNGNOTSA-N
XLogP10.68
TPSA606.97 Ų
H-Bond Donors14
H-Bond Acceptors28
Rotatable Bonds46
Heavy Atoms183
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002601.60
LogP ≤ 510.68
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1028

Analyze (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) with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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)?
The IUPAC name of (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) is (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).
What is the SMILES notation for (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)?
The canonical SMILES for (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) is [2H]c1c([2H])c([2H])c2c(c1[2H])CC([2H])(C)N(C)C(=O)[C@H]2NC(=O)[C@H](C)CC(=O)[C@@]([2H])(O)C(C)C.[2H]c1c([2H])c([2H])c2c(c1[2H])CC([2H])([2H])N(C)C(=O)[C@H]2NC(=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@H](C)CC(=O)[C@@]([2H])(O)C(C)C)C(=O)N(C)CC2([2H])[2H].[2H]c1c([2H])c([2H])c2c(c1[2H])[C@H](NC(=O)[C@H](C)CC(=O)[C@@]([2H])(O)C([2H])(C)C([2H])([2H])[2H])C(=O)N(C)CC2([2H])[2H].[2H]c1c([2H])c([2H])c2c(c1[2H])[C@H](NC(=O)[C@H](C)CC(=O)[C@@]([2H])(O)C([2H])(C)C([2H])([2H])[2H])C(=O)N(C)CC2([2H])[2H].[2H]c1c([2H])c([2H])c2c(c1[2H])[C@H](NC(=O)[C@H](C)CC(=O)[C@@]([2H])(O)C([2H])(C)C([2H])([2H])[2H])C(=O)N(C)CC2([2H])[2H].[2H]c1c([2H])c([2H])c2c(c1[2H])[C@H](NC(=O)[C@H](C)CC(=O)[C@@]([2H])(O)C([2H])(C)C([2H])([2H])[2H])C(=O)N(C)CC2([2H])[2H].
What is the InChIKey of (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)?
The InChIKey is IEOKKYHIPDFHDK-WBWNGNOTSA-N. The full InChI is InChI=1S/C21H30N2O4.6C20H28N2O4/c1-12(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;6*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/h6-9,12-14,18-19,25H,10-11H2,1-5H3,(H,22,26);6*5-8,12-13,17-18,24H,9-11H2,1-4H3,(H,21,25)/t13-,14?,18+,19+;6*13-,17+,18+/m1111111/s1/i6D,7D,8D,9D,14D,19D;4*1D3,5D,6D,7D,8D,9D2,12D,18D;5D,6D,7D,8D,10D2,18D;5D,6D,7D,8D,9D2,18D/tm;4*12?,13-,17+,18+;2m.
What are the key properties of (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)?
(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) has a molecular weight of 2601.60 g/mol, XLogP of 10.68, 46 rotatable bonds, 14 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for (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) is sourced from PubChem (CID 158676355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).