About methyl N-[(1R)-2-[(2S)-2-[[9,9-dibutyl-7-[2-[(2S)-1-[2-(methoxycarbonylamino)-2,3-dimethylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]fluoren-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
methyl N-[(1R)-2-[(2S)-2-[[9,9-dibutyl-7-[2-[(2S)-1-[2-(methoxycarbonylamino)-2,3-dimethylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]fluoren-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate (PubChem CID 155005374) has the molecular formula C51H65N7O7
and a molecular weight of 888.12 g/mol. Its IUPAC name is methyl N-[(1R)-2-[(2S)-2-[[9,9-dibutyl-7-[2-[(2S)-1-[2-(methoxycarbonylamino)-2,3-dimethylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]fluoren-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate.
Analyze methyl N-[(1R)-2-[(2S)-2-[[9,9-dibutyl-7-[2-[(2S)-1-[2-(methoxycarbonylamino)-2,3-dimethylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]fluoren-2-yl]carbamoyl]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-[(1R)-2-[(2S)-2-[[9,9-dibutyl-7-[2-[(2S)-1-[2-(methoxycarbonylamino)-2,3-dimethylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]fluoren-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate?
The IUPAC name of methyl N-[(1R)-2-[(2S)-2-[[9,9-dibutyl-7-[2-[(2S)-1-[2-(methoxycarbonylamino)-2,3-dimethylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]fluoren-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate (CID 155005374) is methyl N-[(1R)-2-[(2S)-2-[[9,9-dibutyl-7-[2-[(2S)-1-[2-(methoxycarbonylamino)-2,3-dimethylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]fluoren-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate.
What is the SMILES notation for methyl N-[(1R)-2-[(2S)-2-[[9,9-dibutyl-7-[2-[(2S)-1-[2-(methoxycarbonylamino)-2,3-dimethylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]fluoren-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate?
The canonical SMILES for methyl N-[(1R)-2-[(2S)-2-[[9,9-dibutyl-7-[2-[(2S)-1-[2-(methoxycarbonylamino)-2,3-dimethylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]fluoren-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate is CCCCC1(CCCC)c2cc(NC(=O)[C@@H]3CCCN3C(=O)[C@H](NC(=O)OC)c3ccccc3)ccc2-c2ccc(-c3cnc([C@@H]4CCCN4C(=O)C(C)(NC(=O)OC)C(C)C)[nH]3)cc21.
What is the InChIKey of methyl N-[(1R)-2-[(2S)-2-[[9,9-dibutyl-7-[2-[(2S)-1-[2-(methoxycarbonylamino)-2,3-dimethylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]fluoren-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate?
The InChIKey is SORASKXEOCYCBO-ILKIHGKFSA-N. The full InChI is InChI=1S/C51H65N7O7/c1-8-10-25-51(26-11-9-2)38-29-34(40-31-52-44(54-40)41-19-15-28-58(41)47(61)50(5,32(3)4)56-49(63)65-7)21-23-36(38)37-24-22-35(30-39(37)51)53-45(59)42-20-16-27-57(42)46(60)43(55-48(62)64-6)33-17-13-12-14-18-33/h12-14,17-18,21-24,29-32,41-43H,8-11,15-16,19-20,25-28H2,1-7H3,(H,52,54)(H,53,59)(H,55,62)(H,56,63)/t41-,42-,43+,50?/m0/s1.
What are the key properties of methyl N-[(1R)-2-[(2S)-2-[[9,9-dibutyl-7-[2-[(2S)-1-[2-(methoxycarbonylamino)-2,3-dimethylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]fluoren-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate?
methyl N-[(1R)-2-[(2S)-2-[[9,9-dibutyl-7-[2-[(2S)-1-[2-(methoxycarbonylamino)-2,3-dimethylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]fluoren-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate has a molecular weight of 888.12 g/mol, XLogP of 9.18, 16 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(1R)-2-[(2S)-2-[[9,9-dibutyl-7-[2-[(2S)-1-[2-(methoxycarbonylamino)-2,3-dimethylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]fluoren-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate is sourced from PubChem (CID 155005374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).