About tert-butyl N-[(2S)-1-[(2S,4R)-4-(7-methoxy-2-phenylquinolin-4-yl)oxy-2-[[2-(thiophen-2-ylsulfonylcarbamoyl)spiro[2.2]pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
tert-butyl N-[(2S)-1-[(2S,4R)-4-(7-methoxy-2-phenylquinolin-4-yl)oxy-2-[[2-(thiophen-2-ylsulfonylcarbamoyl)spiro[2.2]pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate (PubChem CID 59990842) has the molecular formula C42H49N5O9S2
and a molecular weight of 832.01 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-[(2S,4R)-4-(7-methoxy-2-phenylquinolin-4-yl)oxy-2-[[2-(thiophen-2-ylsulfonylcarbamoyl)spiro[2.2]pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate.
Analyze tert-butyl N-[(2S)-1-[(2S,4R)-4-(7-methoxy-2-phenylquinolin-4-yl)oxy-2-[[2-(thiophen-2-ylsulfonylcarbamoyl)spiro[2.2]pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate with MolForge
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Frequently Asked Questions
What is the IUPAC name of tert-butyl N-[(2S)-1-[(2S,4R)-4-(7-methoxy-2-phenylquinolin-4-yl)oxy-2-[[2-(thiophen-2-ylsulfonylcarbamoyl)spiro[2.2]pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-[(2S,4R)-4-(7-methoxy-2-phenylquinolin-4-yl)oxy-2-[[2-(thiophen-2-ylsulfonylcarbamoyl)spiro[2.2]pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate (CID 59990842) is tert-butyl N-[(2S)-1-[(2S,4R)-4-(7-methoxy-2-phenylquinolin-4-yl)oxy-2-[[2-(thiophen-2-ylsulfonylcarbamoyl)spiro[2.2]pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-[(2S,4R)-4-(7-methoxy-2-phenylquinolin-4-yl)oxy-2-[[2-(thiophen-2-ylsulfonylcarbamoyl)spiro[2.2]pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-[(2S,4R)-4-(7-methoxy-2-phenylquinolin-4-yl)oxy-2-[[2-(thiophen-2-ylsulfonylcarbamoyl)spiro[2.2]pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate is COc1ccc2c(O[C@@H]3C[C@@H](C(=O)NC4(C(=O)NS(=O)(=O)c5cccs5)CC45CC5)N(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C3)cc(-c3ccccc3)nc2c1.
What is the InChIKey of tert-butyl N-[(2S)-1-[(2S,4R)-4-(7-methoxy-2-phenylquinolin-4-yl)oxy-2-[[2-(thiophen-2-ylsulfonylcarbamoyl)spiro[2.2]pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate?
The InChIKey is MDJPLJUUTIGLBG-BYSDOGSISA-N. The full InChI is InChI=1S/C42H49N5O9S2/c1-39(2,3)34(44-38(51)56-40(4,5)6)36(49)47-23-27(55-32-22-29(25-12-9-8-10-13-25)43-30-20-26(54-7)15-16-28(30)32)21-31(47)35(48)45-42(24-41(42)17-18-41)37(50)46-58(52,53)33-14-11-19-57-33/h8-16,19-20,22,27,31,34H,17-18,21,23-24H2,1-7H3,(H,44,51)(H,45,48)(H,46,50)/t27-,31+,34-,42?/m1/s1.
What are the key properties of tert-butyl N-[(2S)-1-[(2S,4R)-4-(7-methoxy-2-phenylquinolin-4-yl)oxy-2-[[2-(thiophen-2-ylsulfonylcarbamoyl)spiro[2.2]pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate?
tert-butyl N-[(2S)-1-[(2S,4R)-4-(7-methoxy-2-phenylquinolin-4-yl)oxy-2-[[2-(thiophen-2-ylsulfonylcarbamoyl)spiro[2.2]pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate has a molecular weight of 832.01 g/mol, XLogP of 5.80, 11 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-[(2S,4R)-4-(7-methoxy-2-phenylquinolin-4-yl)oxy-2-[[2-(thiophen-2-ylsulfonylcarbamoyl)spiro[2.2]pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 59990842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).