About benzyl N-[(1R)-1-cyclohexyl-2-[(2R,6S)-4-[[1-[2-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]methyl]-2,6-dimethylpiperazin-1-yl]-2-oxoethyl]carbamate
benzyl N-[(1R)-1-cyclohexyl-2-[(2R,6S)-4-[[1-[2-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]methyl]-2,6-dimethylpiperazin-1-yl]-2-oxoethyl]carbamate (PubChem CID 177119102) has the molecular formula C50H63FN8O6
and a molecular weight of 891.10 g/mol. Its IUPAC name is benzyl N-[(1R)-1-cyclohexyl-2-[(2R,6S)-4-[[1-[2-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]methyl]-2,6-dimethylpiperazin-1-yl]-2-oxoethyl]carbamate.
Analyze benzyl N-[(1R)-1-cyclohexyl-2-[(2R,6S)-4-[[1-[2-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]methyl]-2,6-dimethylpiperazin-1-yl]-2-oxoethyl]carbamate with MolForge
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Frequently Asked Questions
What is the IUPAC name of benzyl N-[(1R)-1-cyclohexyl-2-[(2R,6S)-4-[[1-[2-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]methyl]-2,6-dimethylpiperazin-1-yl]-2-oxoethyl]carbamate?
The IUPAC name of benzyl N-[(1R)-1-cyclohexyl-2-[(2R,6S)-4-[[1-[2-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]methyl]-2,6-dimethylpiperazin-1-yl]-2-oxoethyl]carbamate (CID 177119102) is benzyl N-[(1R)-1-cyclohexyl-2-[(2R,6S)-4-[[1-[2-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]methyl]-2,6-dimethylpiperazin-1-yl]-2-oxoethyl]carbamate.
What is the SMILES notation for benzyl N-[(1R)-1-cyclohexyl-2-[(2R,6S)-4-[[1-[2-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]methyl]-2,6-dimethylpiperazin-1-yl]-2-oxoethyl]carbamate?
The canonical SMILES for benzyl N-[(1R)-1-cyclohexyl-2-[(2R,6S)-4-[[1-[2-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]methyl]-2,6-dimethylpiperazin-1-yl]-2-oxoethyl]carbamate is C[C@@H]1CN(CC2CCN(CC(=O)N3CCN(C(=O)c4cc(Cc5n[nH]c(=O)c6ccccc56)ccc4F)CC3)CC2)C[C@H](C)N1C(=O)[C@H](NC(=O)OCc1ccccc1)C1CCCCC1.
What is the InChIKey of benzyl N-[(1R)-1-cyclohexyl-2-[(2R,6S)-4-[[1-[2-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]methyl]-2,6-dimethylpiperazin-1-yl]-2-oxoethyl]carbamate?
The InChIKey is ZMVRRWYCQCDRFT-IENVMATKSA-N. The full InChI is InChI=1S/C50H63FN8O6/c1-34-29-56(30-35(2)59(34)49(63)46(39-13-7-4-8-14-39)52-50(64)65-33-37-11-5-3-6-12-37)31-36-19-21-55(22-20-36)32-45(60)57-23-25-58(26-24-57)48(62)42-27-38(17-18-43(42)51)28-44-40-15-9-10-16-41(40)47(61)54-53-44/h3,5-6,9-12,15-18,27,34-36,39,46H,4,7-8,13-14,19-26,28-33H2,1-2H3,(H,52,64)(H,54,61)/t34-,35+,46-/m1/s1.
What are the key properties of benzyl N-[(1R)-1-cyclohexyl-2-[(2R,6S)-4-[[1-[2-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]methyl]-2,6-dimethylpiperazin-1-yl]-2-oxoethyl]carbamate?
benzyl N-[(1R)-1-cyclohexyl-2-[(2R,6S)-4-[[1-[2-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]methyl]-2,6-dimethylpiperazin-1-yl]-2-oxoethyl]carbamate has a molecular weight of 891.10 g/mol, XLogP of 5.45, 12 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(1R)-1-cyclohexyl-2-[(2R,6S)-4-[[1-[2-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]methyl]-2,6-dimethylpiperazin-1-yl]-2-oxoethyl]carbamate is sourced from PubChem (CID 177119102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).