About methyl N-[(2R)-1-[(2S)-2-[4-[4-[4-[2-[(2S)-1-[(2R)-2-(diethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-2,3-dimethyl-1-oxobutan-2-yl]carbamate
methyl N-[(2R)-1-[(2S)-2-[4-[4-[4-[2-[(2S)-1-[(2R)-2-(diethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-2,3-dimethyl-1-oxobutan-2-yl]carbamate (PubChem CID 160661956) has the molecular formula C47H57N7O4
and a molecular weight of 784.02 g/mol. Its IUPAC name is methyl N-[(2R)-1-[(2S)-2-[4-[4-[4-[2-[(2S)-1-[(2R)-2-(diethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-2,3-dimethyl-1-oxobutan-2-yl]carbamate.
Analyze methyl N-[(2R)-1-[(2S)-2-[4-[4-[4-[2-[(2S)-1-[(2R)-2-(diethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-2,3-dimethyl-1-oxobutan-2-yl]carbamate with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of methyl N-[(2R)-1-[(2S)-2-[4-[4-[4-[2-[(2S)-1-[(2R)-2-(diethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-2,3-dimethyl-1-oxobutan-2-yl]carbamate?
The IUPAC name of methyl N-[(2R)-1-[(2S)-2-[4-[4-[4-[2-[(2S)-1-[(2R)-2-(diethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-2,3-dimethyl-1-oxobutan-2-yl]carbamate (CID 160661956) is methyl N-[(2R)-1-[(2S)-2-[4-[4-[4-[2-[(2S)-1-[(2R)-2-(diethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-2,3-dimethyl-1-oxobutan-2-yl]carbamate.
What is the SMILES notation for methyl N-[(2R)-1-[(2S)-2-[4-[4-[4-[2-[(2S)-1-[(2R)-2-(diethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-2,3-dimethyl-1-oxobutan-2-yl]carbamate?
The canonical SMILES for methyl N-[(2R)-1-[(2S)-2-[4-[4-[4-[2-[(2S)-1-[(2R)-2-(diethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-2,3-dimethyl-1-oxobutan-2-yl]carbamate is CCN(CC)[C@@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(C4=CN=C([C@@H]5CCCN5C(=O)[C@](C)(NC(=O)OC)C(C)C)C4)cc3)cc2)[nH]1)c1ccccc1.
What is the InChIKey of methyl N-[(2R)-1-[(2S)-2-[4-[4-[4-[2-[(2S)-1-[(2R)-2-(diethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-2,3-dimethyl-1-oxobutan-2-yl]carbamate?
The InChIKey is CWCLVIKRCPFKQU-JZLYTBGASA-N. The full InChI is InChI=1S/C47H57N7O4/c1-7-52(8-2)42(36-14-10-9-11-15-36)44(55)53-26-13-17-41(53)43-49-30-39(50-43)35-24-22-33(23-25-35)32-18-20-34(21-19-32)37-28-38(48-29-37)40-16-12-27-54(40)45(56)47(5,31(3)4)51-46(57)58-6/h9-11,14-15,18-25,29-31,40-42H,7-8,12-13,16-17,26-28H2,1-6H3,(H,49,50)(H,51,57)/t40-,41-,42+,47+/m0/s1.
What are the key properties of methyl N-[(2R)-1-[(2S)-2-[4-[4-[4-[2-[(2S)-1-[(2R)-2-(diethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-2,3-dimethyl-1-oxobutan-2-yl]carbamate?
methyl N-[(2R)-1-[(2S)-2-[4-[4-[4-[2-[(2S)-1-[(2R)-2-(diethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-2,3-dimethyl-1-oxobutan-2-yl]carbamate has a molecular weight of 784.02 g/mol, XLogP of 8.44, 13 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(2R)-1-[(2S)-2-[4-[4-[4-[2-[(2S)-1-[(2R)-2-(diethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-2,3-dimethyl-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 160661956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).