About tert-butyl N-[(2,4-difluorophenyl)methyl]-N-[2-[(3S)-3-[3-[[(2R)-1-[4-[1-[2-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]oxypiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]phenyl]piperidin-1-yl]-2-oxoethyl]carbamate
tert-butyl N-[(2,4-difluorophenyl)methyl]-N-[2-[(3S)-3-[3-[[(2R)-1-[4-[1-[2-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]oxypiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]phenyl]piperidin-1-yl]-2-oxoethyl]carbamate (PubChem CID 177119121) has the molecular formula C63H76F3N9O9
and a molecular weight of 1160.35 g/mol. Its IUPAC name is tert-butyl N-[(2,4-difluorophenyl)methyl]-N-[2-[(3S)-3-[3-[[(2R)-1-[4-[1-[2-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]oxypiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]phenyl]piperidin-1-yl]-2-oxoethyl]carbamate.
Analyze tert-butyl N-[(2,4-difluorophenyl)methyl]-N-[2-[(3S)-3-[3-[[(2R)-1-[4-[1-[2-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]oxypiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]phenyl]piperidin-1-yl]-2-oxoethyl]carbamate with MolForge
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Frequently Asked Questions
What is the IUPAC name of tert-butyl N-[(2,4-difluorophenyl)methyl]-N-[2-[(3S)-3-[3-[[(2R)-1-[4-[1-[2-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]oxypiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]phenyl]piperidin-1-yl]-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[(2,4-difluorophenyl)methyl]-N-[2-[(3S)-3-[3-[[(2R)-1-[4-[1-[2-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]oxypiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]phenyl]piperidin-1-yl]-2-oxoethyl]carbamate (CID 177119121) is tert-butyl N-[(2,4-difluorophenyl)methyl]-N-[2-[(3S)-3-[3-[[(2R)-1-[4-[1-[2-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]oxypiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]phenyl]piperidin-1-yl]-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2,4-difluorophenyl)methyl]-N-[2-[(3S)-3-[3-[[(2R)-1-[4-[1-[2-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]oxypiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]phenyl]piperidin-1-yl]-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[(2,4-difluorophenyl)methyl]-N-[2-[(3S)-3-[3-[[(2R)-1-[4-[1-[2-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]oxypiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]phenyl]piperidin-1-yl]-2-oxoethyl]carbamate is CC(C)[C@@H](NC(=O)c1cccc([C@@H]2CCCN(C(=O)CN(Cc3ccc(F)cc3F)C(=O)OC(C)(C)C)C2)c1)C(=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-difluorophenyl)methyl]-N-[2-[(3S)-3-[3-[[(2R)-1-[4-[1-[2-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]oxypiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]phenyl]piperidin-1-yl]-2-oxoethyl]carbamate?
The InChIKey is OVRZDWFYFFMTBZ-IALFJWSTSA-N. The full InChI is InChI=1S/C63H76F3N9O9/c1-40(2)57(67-58(78)43-11-8-10-42(34-43)44-12-9-23-74(36-44)56(77)39-75(62(82)84-63(3,4)5)37-45-16-17-46(64)35-53(45)66)61(81)72-26-21-48(22-27-72)83-47-19-24-70(25-20-47)38-55(76)71-28-30-73(31-29-71)60(80)51-32-41(15-18-52(51)65)33-54-49-13-6-7-14-50(49)59(79)69-68-54/h6-8,10-11,13-18,32,34-35,40,44,47-48,57H,9,12,19-31,33,36-39H2,1-5H3,(H,67,78)(H,69,79)/t44-,57-/m1/s1.
What are the key properties of tert-butyl N-[(2,4-difluorophenyl)methyl]-N-[2-[(3S)-3-[3-[[(2R)-1-[4-[1-[2-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]oxypiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]phenyl]piperidin-1-yl]-2-oxoethyl]carbamate?
tert-butyl N-[(2,4-difluorophenyl)methyl]-N-[2-[(3S)-3-[3-[[(2R)-1-[4-[1-[2-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]oxypiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]phenyl]piperidin-1-yl]-2-oxoethyl]carbamate has a molecular weight of 1160.35 g/mol, XLogP of 7.29, 16 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2,4-difluorophenyl)methyl]-N-[2-[(3S)-3-[3-[[(2R)-1-[4-[1-[2-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]oxypiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]phenyl]piperidin-1-yl]-2-oxoethyl]carbamate is sourced from PubChem (CID 177119121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).