About N-[(2S)-1-[2-[5-[4-[3-[2-[1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]-4H-furo[3,2-b]pyrrol-6-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide
N-[(2S)-1-[2-[5-[4-[3-[2-[1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]-4H-furo[3,2-b]pyrrol-6-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide (PubChem CID 58310042) has the molecular formula C41H50N8O6
and a molecular weight of 750.90 g/mol. Its IUPAC name is N-[(2S)-1-[2-[5-[4-[3-[2-[1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]-4H-furo[3,2-b]pyrrol-6-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide.
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Frequently Asked Questions
What is the IUPAC name of N-[(2S)-1-[2-[5-[4-[3-[2-[1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]-4H-furo[3,2-b]pyrrol-6-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide?
The IUPAC name of N-[(2S)-1-[2-[5-[4-[3-[2-[1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]-4H-furo[3,2-b]pyrrol-6-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide (CID 58310042) is N-[(2S)-1-[2-[5-[4-[3-[2-[1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]-4H-furo[3,2-b]pyrrol-6-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide.
What is the SMILES notation for N-[(2S)-1-[2-[5-[4-[3-[2-[1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]-4H-furo[3,2-b]pyrrol-6-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide?
The canonical SMILES for N-[(2S)-1-[2-[5-[4-[3-[2-[1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]-4H-furo[3,2-b]pyrrol-6-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide is CC(=O)N[C@H](C(=O)N1CCCC1C1=NC=C(c2coc3c(-c4ccc(-c5cnc(C6CCCN6C(=O)[C@@H](NC(=O)CO)C(C)C)[nH]5)cc4)c[nH]c23)C1)C(C)C.
What is the InChIKey of N-[(2S)-1-[2-[5-[4-[3-[2-[1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]-4H-furo[3,2-b]pyrrol-6-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide?
The InChIKey is JAQPWCPLBHJMJF-LCCXZTGISA-N. The full InChI is InChI=1S/C41H50N8O6/c1-22(2)35(45-24(5)51)40(53)48-14-6-8-32(48)30-16-27(17-42-30)29-21-55-38-28(18-43-37(29)38)25-10-12-26(13-11-25)31-19-44-39(46-31)33-9-7-15-49(33)41(54)36(23(3)4)47-34(52)20-50/h10-13,17-19,21-23,32-33,35-36,43,50H,6-9,14-16,20H2,1-5H3,(H,44,46)(H,45,51)(H,47,52)/t32?,33?,35-,36-/m0/s1.
What are the key properties of N-[(2S)-1-[2-[5-[4-[3-[2-[1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]-4H-furo[3,2-b]pyrrol-6-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide?
N-[(2S)-1-[2-[5-[4-[3-[2-[1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]-4H-furo[3,2-b]pyrrol-6-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide has a molecular weight of 750.90 g/mol, XLogP of 4.95, 12 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[2-[5-[4-[3-[2-[1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]-4H-furo[3,2-b]pyrrol-6-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide is sourced from PubChem (CID 58310042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).