About methyl N-[2-[2-[5-[4-[4-[2-[4-[2-(cyclopropanecarbonylamino)-2-phenylacetyl]morpholin-3-yl]-1H-imidazol-5-yl]piperidin-1-yl]-3,5-difluorophenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
methyl N-[2-[2-[5-[4-[4-[2-[4-[2-(cyclopropanecarbonylamino)-2-phenylacetyl]morpholin-3-yl]-1H-imidazol-5-yl]piperidin-1-yl]-3,5-difluorophenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate (PubChem CID 76789227) has the molecular formula C47H51F2N9O6
and a molecular weight of 875.98 g/mol. Its IUPAC name is methyl N-[2-[2-[5-[4-[4-[2-[4-[2-(cyclopropanecarbonylamino)-2-phenylacetyl]morpholin-3-yl]-1H-imidazol-5-yl]piperidin-1-yl]-3,5-difluorophenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate.
Analyze methyl N-[2-[2-[5-[4-[4-[2-[4-[2-(cyclopropanecarbonylamino)-2-phenylacetyl]morpholin-3-yl]-1H-imidazol-5-yl]piperidin-1-yl]-3,5-difluorophenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate with MolForge
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Frequently Asked Questions
What is the IUPAC name of methyl N-[2-[2-[5-[4-[4-[2-[4-[2-(cyclopropanecarbonylamino)-2-phenylacetyl]morpholin-3-yl]-1H-imidazol-5-yl]piperidin-1-yl]-3,5-difluorophenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate?
The IUPAC name of methyl N-[2-[2-[5-[4-[4-[2-[4-[2-(cyclopropanecarbonylamino)-2-phenylacetyl]morpholin-3-yl]-1H-imidazol-5-yl]piperidin-1-yl]-3,5-difluorophenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate (CID 76789227) is methyl N-[2-[2-[5-[4-[4-[2-[4-[2-(cyclopropanecarbonylamino)-2-phenylacetyl]morpholin-3-yl]-1H-imidazol-5-yl]piperidin-1-yl]-3,5-difluorophenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate.
What is the SMILES notation for methyl N-[2-[2-[5-[4-[4-[2-[4-[2-(cyclopropanecarbonylamino)-2-phenylacetyl]morpholin-3-yl]-1H-imidazol-5-yl]piperidin-1-yl]-3,5-difluorophenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate?
The canonical SMILES for methyl N-[2-[2-[5-[4-[4-[2-[4-[2-(cyclopropanecarbonylamino)-2-phenylacetyl]morpholin-3-yl]-1H-imidazol-5-yl]piperidin-1-yl]-3,5-difluorophenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate is COC(=O)NC(C(=O)N1CCCC1c1ncc(-c2cc(F)c(N3CCC(c4cnc(C5COCCN5C(=O)C(NC(=O)C5CC5)c5ccccc5)[nH]4)CC3)c(F)c2)[nH]1)c1ccccc1.
What is the InChIKey of methyl N-[2-[2-[5-[4-[4-[2-[4-[2-(cyclopropanecarbonylamino)-2-phenylacetyl]morpholin-3-yl]-1H-imidazol-5-yl]piperidin-1-yl]-3,5-difluorophenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate?
The InChIKey is JKHKKMOGEMCOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H51F2N9O6/c1-63-47(62)55-40(30-11-6-3-7-12-30)46(61)57-18-8-13-37(57)42-50-26-36(53-42)32-23-33(48)41(34(49)24-32)56-19-16-28(17-20-56)35-25-51-43(52-35)38-27-64-22-21-58(38)45(60)39(29-9-4-2-5-10-29)54-44(59)31-14-15-31/h2-7,9-12,23-26,28,31,37-40H,8,13-22,27H2,1H3,(H,50,53)(H,51,52)(H,54,59)(H,55,62).
What are the key properties of methyl N-[2-[2-[5-[4-[4-[2-[4-[2-(cyclopropanecarbonylamino)-2-phenylacetyl]morpholin-3-yl]-1H-imidazol-5-yl]piperidin-1-yl]-3,5-difluorophenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate?
methyl N-[2-[2-[5-[4-[4-[2-[4-[2-(cyclopropanecarbonylamino)-2-phenylacetyl]morpholin-3-yl]-1H-imidazol-5-yl]piperidin-1-yl]-3,5-difluorophenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate has a molecular weight of 875.98 g/mol, XLogP of 6.39, 12 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[2-[5-[4-[4-[2-[4-[2-(cyclopropanecarbonylamino)-2-phenylacetyl]morpholin-3-yl]-1H-imidazol-5-yl]piperidin-1-yl]-3,5-difluorophenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate is sourced from PubChem (CID 76789227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).