About tert-butyl N-[2-[4-[1-[2-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]oxypiperidine-1-carbonyl]-5-phenyl-3-pyridinyl]carbamate;ethane
tert-butyl N-[2-[4-[1-[2-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]oxypiperidine-1-carbonyl]-5-phenyl-3-pyridinyl]carbamate;ethane (PubChem CID 176579235) has the molecular formula C51H61FN8O7
and a molecular weight of 917.10 g/mol. Its IUPAC name is tert-butyl N-[2-[4-[1-[2-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]oxypiperidine-1-carbonyl]-5-phenyl-3-pyridinyl]carbamate;ethane.
Analyze tert-butyl N-[2-[4-[1-[2-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]oxypiperidine-1-carbonyl]-5-phenyl-3-pyridinyl]carbamate;ethane with MolForge
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Frequently Asked Questions
What is the IUPAC name of tert-butyl N-[2-[4-[1-[2-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]oxypiperidine-1-carbonyl]-5-phenyl-3-pyridinyl]carbamate;ethane?
The IUPAC name of tert-butyl N-[2-[4-[1-[2-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]oxypiperidine-1-carbonyl]-5-phenyl-3-pyridinyl]carbamate;ethane (CID 176579235) is tert-butyl N-[2-[4-[1-[2-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]oxypiperidine-1-carbonyl]-5-phenyl-3-pyridinyl]carbamate;ethane.
What is the SMILES notation for tert-butyl N-[2-[4-[1-[2-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]oxypiperidine-1-carbonyl]-5-phenyl-3-pyridinyl]carbamate;ethane?
The canonical SMILES for tert-butyl N-[2-[4-[1-[2-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]oxypiperidine-1-carbonyl]-5-phenyl-3-pyridinyl]carbamate;ethane is CC.CC(C)(C)OC(=O)Nc1cc(-c2ccccc2)cnc1C(=O)N1CCC(OC2CCN(CC(=O)N3CCN(C(=O)c4cc(Cc5n[nH]c(=O)c6ccccc56)ccc4F)CC3)CC2)CC1.
What is the InChIKey of tert-butyl N-[2-[4-[1-[2-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]oxypiperidine-1-carbonyl]-5-phenyl-3-pyridinyl]carbamate;ethane?
The InChIKey is CRCZOODTYZFSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H55FN8O7.C2H6/c1-49(2,3)65-48(63)52-42-29-34(33-9-5-4-6-10-33)30-51-44(42)47(62)57-21-17-36(18-22-57)64-35-15-19-55(20-16-35)31-43(59)56-23-25-58(26-24-56)46(61)39-27-32(13-14-40(39)50)28-41-37-11-7-8-12-38(37)45(60)54-53-41;1-2/h4-14,27,29-30,35-36H,15-26,28,31H2,1-3H3,(H,52,63)(H,54,60);1-2H3.
What are the key properties of tert-butyl N-[2-[4-[1-[2-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]oxypiperidine-1-carbonyl]-5-phenyl-3-pyridinyl]carbamate;ethane?
tert-butyl N-[2-[4-[1-[2-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]oxypiperidine-1-carbonyl]-5-phenyl-3-pyridinyl]carbamate;ethane has a molecular weight of 917.10 g/mol, XLogP of 7.16, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[4-[1-[2-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]oxypiperidine-1-carbonyl]-5-phenyl-3-pyridinyl]carbamate;ethane is sourced from PubChem (CID 176579235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).