About (2R)-5-(4-chloropiperidin-1-yl)-N-[(2S,5R)-5-(cyclopentylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-4-oxopentanamide;(2R)-N-[(2S,5R)-1-(4-cyanophenyl)-5-(cyclopentylmethyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;(2R)-N-[(2S,5R)-5-(cyclopentylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-5-(3,3-difluoropiperidin-1-yl)-2-methyl-4-oxopentanamide;(2R)-N-[(2S,5R)-5-(cyclopentylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-5-(4,4-difluoropiperidin-1-yl)-2-methyl-4-oxopentanamide;(2R)-N-[(2S,5R)-5-(cyclopentylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-5-(3,3-difluoropyrrolidin-1-yl)-2-methyl-4-oxopentanamide;(2R)-N-[(2S,5R)-5-(cyclopentylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-4-oxo-5-[4-(trifluoromethyl)piperidin-1-yl]pentanamide;4-[(2S,5R)-5-(cyclopentylmethyl)-2-[[(2R)-2-methyl-5-morpholin-4-yl-4-oxopentanoyl]amino]-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexyl]benzamide;N-[(2R,5R)-6-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-5-[(4-methoxyphenyl)methyl]-3,6-dioxohexan-2-yl]-3-hydroxycyclobutane-1-carboxamide;(2R,5S)-2-[(4-methoxyphenyl)methyl]-N-[(2S)-3-(2-methylcyclopenten-1-yl)-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;(2R,5S)-2-[(4-methoxyphenyl)methyl]-N-[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-(2-oxopyrrolidin-1-yl)propan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide
(2R)-5-(4-chloropiperidin-1-yl)-N-[(2S,5R)-5-(cyclopentylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-4-oxopentanamide;(2R)-N-[(2S,5R)-1-(4-cyanophenyl)-5-(cyclopentylmethyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;(2R)-N-[(2S,5R)-5-(cyclopentylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-5-(3,3-difluoropiperidin-1-yl)-2-methyl-4-oxopentanamide;(2R)-N-[(2S,5R)-5-(cyclopentylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-5-(4,4-difluoropiperidin-1-yl)-2-methyl-4-oxopentanamide;(2R)-N-[(2S,5R)-5-(cyclopentylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-5-(3,3-difluoropyrrolidin-1-yl)-2-methyl-4-oxopentanamide;(2R)-N-[(2S,5R)-5-(cyclopentylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-4-oxo-5-[4-(trifluoromethyl)piperidin-1-yl]pentanamide;4-[(2S,5R)-5-(cyclopentylmethyl)-2-[[(2R)-2-methyl-5-morpholin-4-yl-4-oxopentanoyl]amino]-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexyl]benzamide;N-[(2R,5R)-6-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-5-[(4-methoxyphenyl)methyl]-3,6-dioxohexan-2-yl]-3-hydroxycyclobutane-1-carboxamide;(2R,5S)-2-[(4-methoxyphenyl)methyl]-N-[(2S)-3-(2-methylcyclopenten-1-yl)-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;(2R,5S)-2-[(4-methoxyphenyl)methyl]-N-[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-(2-oxopyrrolidin-1-yl)propan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide (PubChem CID 161069170) has the molecular formula C321H447ClF9N25O65
and a molecular weight of 5902.65 g/mol. Its IUPAC name is (2R)-5-(4-chloropiperidin-1-yl)-N-[(2S,5R)-5-(cyclopentylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-4-oxopentanamide;(2R)-N-[(2S,5R)-1-(4-cyanophenyl)-5-(cyclopentylmethyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;(2R)-N-[(2S,5R)-5-(cyclopentylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-5-(3,3-difluoropiperidin-1-yl)-2-methyl-4-oxopentanamide;(2R)-N-[(2S,5R)-5-(cyclopentylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-5-(4,4-difluoropiperidin-1-yl)-2-methyl-4-oxopentanamide;(2R)-N-[(2S,5R)-5-(cyclopentylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-5-(3,3-difluoropyrrolidin-1-yl)-2-methyl-4-oxopentanamide;(2R)-N-[(2S,5R)-5-(cyclopentylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-4-oxo-5-[4-(trifluoromethyl)piperidin-1-yl]pentanamide;4-[(2S,5R)-5-(cyclopentylmethyl)-2-[[(2R)-2-methyl-5-morpholin-4-yl-4-oxopentanoyl]amino]-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexyl]benzamide;N-[(2R,5R)-6-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-5-[(4-methoxyphenyl)methyl]-3,6-dioxohexan-2-yl]-3-hydroxycyclobutane-1-carboxamide;(2R,5S)-2-[(4-methoxyphenyl)methyl]-N-[(2S)-3-(2-methylcyclopenten-1-yl)-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;(2R,5S)-2-[(4-methoxyphenyl)methyl]-N-[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-(2-oxopyrrolidin-1-yl)propan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide.
Frequently Asked Questions
What is the IUPAC name of (2R)-5-(4-chloropiperidin-1-yl)-N-[(2S,5R)-5-(cyclopentylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-4-oxopentanamide;(2R)-N-[(2S,5R)-1-(4-cyanophenyl)-5-(cyclopentylmethyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;(2R)-N-[(2S,5R)-5-(cyclopentylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-5-(3,3-difluoropiperidin-1-yl)-2-methyl-4-oxopentanamide;(2R)-N-[(2S,5R)-5-(cyclopentylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-5-(4,4-difluoropiperidin-1-yl)-2-methyl-4-oxopentanamide;(2R)-N-[(2S,5R)-5-(cyclopentylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-5-(3,3-difluoropyrrolidin-1-yl)-2-methyl-4-oxopentanamide;(2R)-N-[(2S,5R)-5-(cyclopentylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-4-oxo-5-[4-(trifluoromethyl)piperidin-1-yl]pentanamide;4-[(2S,5R)-5-(cyclopentylmethyl)-2-[[(2R)-2-methyl-5-morpholin-4-yl-4-oxopentanoyl]amino]-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexyl]benzamide;N-[(2R,5R)-6-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-5-[(4-methoxyphenyl)methyl]-3,6-dioxohexan-2-yl]-3-hydroxycyclobutane-1-carboxamide;(2R,5S)-2-[(4-methoxyphenyl)methyl]-N-[(2S)-3-(2-methylcyclopenten-1-yl)-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;(2R,5S)-2-[(4-methoxyphenyl)methyl]-N-[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-(2-oxopyrrolidin-1-yl)propan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide?
The IUPAC name of (2R)-5-(4-chloropiperidin-1-yl)-N-[(2S,5R)-5-(cyclopentylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-4-oxopentanamide;(2R)-N-[(2S,5R)-1-(4-cyanophenyl)-5-(cyclopentylmethyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;(2R)-N-[(2S,5R)-5-(cyclopentylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-5-(3,3-difluoropiperidin-1-yl)-2-methyl-4-oxopentanamide;(2R)-N-[(2S,5R)-5-(cyclopentylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-5-(4,4-difluoropiperidin-1-yl)-2-methyl-4-oxopentanamide;(2R)-N-[(2S,5R)-5-(cyclopentylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-5-(3,3-difluoropyrrolidin-1-yl)-2-methyl-4-oxopentanamide;(2R)-N-[(2S,5R)-5-(cyclopentylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-4-oxo-5-[4-(trifluoromethyl)piperidin-1-yl]pentanamide;4-[(2S,5R)-5-(cyclopentylmethyl)-2-[[(2R)-2-methyl-5-morpholin-4-yl-4-oxopentanoyl]amino]-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexyl]benzamide;N-[(2R,5R)-6-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-5-[(4-methoxyphenyl)methyl]-3,6-dioxohexan-2-yl]-3-hydroxycyclobutane-1-carboxamide;(2R,5S)-2-[(4-methoxyphenyl)methyl]-N-[(2S)-3-(2-methylcyclopenten-1-yl)-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;(2R,5S)-2-[(4-methoxyphenyl)methyl]-N-[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-(2-oxopyrrolidin-1-yl)propan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide (CID 161069170) is (2R)-5-(4-chloropiperidin-1-yl)-N-[(2S,5R)-5-(cyclopentylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-4-oxopentanamide;(2R)-N-[(2S,5R)-1-(4-cyanophenyl)-5-(cyclopentylmethyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;(2R)-N-[(2S,5R)-5-(cyclopentylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-5-(3,3-difluoropiperidin-1-yl)-2-methyl-4-oxopentanamide;(2R)-N-[(2S,5R)-5-(cyclopentylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-5-(4,4-difluoropiperidin-1-yl)-2-methyl-4-oxopentanamide;(2R)-N-[(2S,5R)-5-(cyclopentylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-5-(3,3-difluoropyrrolidin-1-yl)-2-methyl-4-oxopentanamide;(2R)-N-[(2S,5R)-5-(cyclopentylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-4-oxo-5-[4-(trifluoromethyl)piperidin-1-yl]pentanamide;4-[(2S,5R)-5-(cyclopentylmethyl)-2-[[(2R)-2-methyl-5-morpholin-4-yl-4-oxopentanoyl]amino]-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexyl]benzamide;N-[(2R,5R)-6-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-5-[(4-methoxyphenyl)methyl]-3,6-dioxohexan-2-yl]-3-hydroxycyclobutane-1-carboxamide;(2R,5S)-2-[(4-methoxyphenyl)methyl]-N-[(2S)-3-(2-methylcyclopenten-1-yl)-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;(2R,5S)-2-[(4-methoxyphenyl)methyl]-N-[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-(2-oxopyrrolidin-1-yl)propan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide.
What is the SMILES notation for (2R)-5-(4-chloropiperidin-1-yl)-N-[(2S,5R)-5-(cyclopentylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-4-oxopentanamide;(2R)-N-[(2S,5R)-1-(4-cyanophenyl)-5-(cyclopentylmethyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;(2R)-N-[(2S,5R)-5-(cyclopentylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-5-(3,3-difluoropiperidin-1-yl)-2-methyl-4-oxopentanamide;(2R)-N-[(2S,5R)-5-(cyclopentylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-5-(4,4-difluoropiperidin-1-yl)-2-methyl-4-oxopentanamide;(2R)-N-[(2S,5R)-5-(cyclopentylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-5-(3,3-difluoropyrrolidin-1-yl)-2-methyl-4-oxopentanamide;(2R)-N-[(2S,5R)-5-(cyclopentylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-4-oxo-5-[4-(trifluoromethyl)piperidin-1-yl]pentanamide;4-[(2S,5R)-5-(cyclopentylmethyl)-2-[[(2R)-2-methyl-5-morpholin-4-yl-4-oxopentanoyl]amino]-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexyl]benzamide;N-[(2R,5R)-6-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-5-[(4-methoxyphenyl)methyl]-3,6-dioxohexan-2-yl]-3-hydroxycyclobutane-1-carboxamide;(2R,5S)-2-[(4-methoxyphenyl)methyl]-N-[(2S)-3-(2-methylcyclopenten-1-yl)-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;(2R,5S)-2-[(4-methoxyphenyl)methyl]-N-[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-(2-oxopyrrolidin-1-yl)propan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide?
The canonical SMILES for (2R)-5-(4-chloropiperidin-1-yl)-N-[(2S,5R)-5-(cyclopentylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-4-oxopentanamide;(2R)-N-[(2S,5R)-1-(4-cyanophenyl)-5-(cyclopentylmethyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;(2R)-N-[(2S,5R)-5-(cyclopentylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-5-(3,3-difluoropiperidin-1-yl)-2-methyl-4-oxopentanamide;(2R)-N-[(2S,5R)-5-(cyclopentylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-5-(4,4-difluoropiperidin-1-yl)-2-methyl-4-oxopentanamide;(2R)-N-[(2S,5R)-5-(cyclopentylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-5-(3,3-difluoropyrrolidin-1-yl)-2-methyl-4-oxopentanamide;(2R)-N-[(2S,5R)-5-(cyclopentylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-4-oxo-5-[4-(trifluoromethyl)piperidin-1-yl]pentanamide;4-[(2S,5R)-5-(cyclopentylmethyl)-2-[[(2R)-2-methyl-5-morpholin-4-yl-4-oxopentanoyl]amino]-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexyl]benzamide;N-[(2R,5R)-6-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-5-[(4-methoxyphenyl)methyl]-3,6-dioxohexan-2-yl]-3-hydroxycyclobutane-1-carboxamide;(2R,5S)-2-[(4-methoxyphenyl)methyl]-N-[(2S)-3-(2-methylcyclopenten-1-yl)-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;(2R,5S)-2-[(4-methoxyphenyl)methyl]-N-[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-(2-oxopyrrolidin-1-yl)propan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide is COc1ccc(C[C@H](CC(=O)[C@@H](C)NC(=O)C2CC(O)C2)C(=O)N[C@@H](CC2CCCC2)C(=O)[C@@]2(C)CO2)cc1.COc1ccc(C[C@H](CC(=O)[C@H](C)NC(=O)CN2CCOCC2)C(=O)N[C@@H](CC2=C(C)CCC2)C(=O)[C@@]2(C)CO2)cc1.COc1ccc(C[C@H](CC(=O)[C@H](C)NC(=O)CN2CCOCC2)C(=O)N[C@@H](CN2CCCC2=O)C(=O)[C@@]2(C)CO2)cc1.COc1ccc(C[C@H](NC(=O)[C@H](C)CC(=O)CN2CCC(C(F)(F)F)CC2)C(=O)C[C@@H](CC2CCCC2)C(=O)[C@@]2(C)CO2)cc1.COc1ccc(C[C@H](NC(=O)[C@H](C)CC(=O)CN2CCC(Cl)CC2)C(=O)C[C@@H](CC2CCCC2)C(=O)[C@@]2(C)CO2)cc1.COc1ccc(C[C@H](NC(=O)[C@H](C)CC(=O)CN2CCC(F)(F)C2)C(=O)C[C@@H](CC2CCCC2)C(=O)[C@@]2(C)CO2)cc1.COc1ccc(C[C@H](NC(=O)[C@H](C)CC(=O)CN2CCC(F)(F)CC2)C(=O)CC(CC2CCCC2)C(=O)[C@@]2(C)CO2)cc1.COc1ccc(C[C@H](NC(=O)[C@H](C)CC(=O)CN2CCCC(F)(F)C2)C(=O)C[C@@H](CC2CCCC2)C(=O)[C@@]2(C)CO2)cc1.C[C@H](CC(=O)CN1CCOCC1)C(=O)N[C@@H](Cc1ccc(C#N)cc1)C(=O)C[C@@H](CC1CCCC1)C(=O)[C@@]1(C)CO1.C[C@H](CC(=O)CN1CCOCC1)C(=O)N[C@@H](Cc1ccc(C(N)=O)cc1)C(=O)C[C@@H](CC1CCCC1)C(=O)[C@@]1(C)CO1.
What is the InChIKey of (2R)-5-(4-chloropiperidin-1-yl)-N-[(2S,5R)-5-(cyclopentylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-4-oxopentanamide;(2R)-N-[(2S,5R)-1-(4-cyanophenyl)-5-(cyclopentylmethyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;(2R)-N-[(2S,5R)-5-(cyclopentylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-5-(3,3-difluoropiperidin-1-yl)-2-methyl-4-oxopentanamide;(2R)-N-[(2S,5R)-5-(cyclopentylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-5-(4,4-difluoropiperidin-1-yl)-2-methyl-4-oxopentanamide;(2R)-N-[(2S,5R)-5-(cyclopentylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-5-(3,3-difluoropyrrolidin-1-yl)-2-methyl-4-oxopentanamide;(2R)-N-[(2S,5R)-5-(cyclopentylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-4-oxo-5-[4-(trifluoromethyl)piperidin-1-yl]pentanamide;4-[(2S,5R)-5-(cyclopentylmethyl)-2-[[(2R)-2-methyl-5-morpholin-4-yl-4-oxopentanoyl]amino]-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexyl]benzamide;N-[(2R,5R)-6-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-5-[(4-methoxyphenyl)methyl]-3,6-dioxohexan-2-yl]-3-hydroxycyclobutane-1-carboxamide;(2R,5S)-2-[(4-methoxyphenyl)methyl]-N-[(2S)-3-(2-methylcyclopenten-1-yl)-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;(2R,5S)-2-[(4-methoxyphenyl)methyl]-N-[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-(2-oxopyrrolidin-1-yl)propan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide?
The InChIKey is UEKVEGAJWNQJPG-BPLHUKTOSA-N. The full InChI is InChI=1S/C34H47F3N2O6.C33H47ClN2O6.2C33H46F2N2O6.C32H44F2N2O6.2C32H45N3O7.C32H43N3O6.C30H42N4O8.C30H42N2O7/c1-22(16-27(40)20-39-14-12-26(13-15-39)34(35,36)37)32(43)38-29(18-24-8-10-28(44-3)11-9-24)30(41)19-25(17-23-6-4-5-7-23)31(42)33(2)21-45-33;1-22(16-27(37)20-36-14-12-26(34)13-15-36)32(40)35-29(18-24-8-10-28(41-3)11-9-24)30(38)19-25(17-23-6-4-5-7-23)31(39)33(2)21-42-33;1-22(15-26(38)19-37-14-6-13-33(34,35)20-37)31(41)36-28(17-24-9-11-27(42-3)12-10-24)29(39)18-25(16-23-7-4-5-8-23)30(40)32(2)21-43-32;1-22(16-26(38)20-37-14-12-33(34,35)13-15-37)31(41)36-28(18-24-8-10-27(42-3)11-9-24)29(39)19-25(17-23-6-4-5-7-23)30(40)32(2)21-43-32;1-21(14-25(37)18-36-13-12-32(33,34)19-36)30(40)35-27(16-23-8-10-26(41-3)11-9-23)28(38)17-24(15-22-6-4-5-7-22)29(39)31(2)20-42-31;1-21-6-5-7-24(21)17-27(30(38)32(3)20-42-32)34-31(39)25(16-23-8-10-26(40-4)11-9-23)18-28(36)22(2)33-29(37)19-35-12-14-41-15-13-35;1-21(15-26(36)19-35-11-13-41-14-12-35)31(40)34-27(17-23-7-9-24(10-8-23)30(33)39)28(37)18-25(16-22-5-3-4-6-22)29(38)32(2)20-42-32;1-22(15-27(36)20-35-11-13-40-14-12-35)31(39)34-28(17-24-7-9-25(19-33)10-8-24)29(37)18-26(16-23-5-3-4-6-23)30(38)32(2)21-41-32;1-20(31-26(36)18-33-11-13-41-14-12-33)25(35)16-22(15-21-6-8-23(40-3)9-7-21)29(39)32-24(28(38)30(2)19-42-30)17-34-10-4-5-27(34)37;1-18(31-28(36)22-14-23(33)15-22)26(34)16-21(12-20-8-10-24(38-3)11-9-20)29(37)32-25(13-19-6-4-5-7-19)27(35)30(2)17-39-30/h8-11,22-23,25-26,29H,4-7,12-21H2,1-3H3,(H,38,43);8-11,22-23,25-26,29H,4-7,12-21H2,1-3H3,(H,35,40);9-12,22-23,25,28H,4-8,13-21H2,1-3H3,(H,36,41);8-11,22-23,25,28H,4-7,12-21H2,1-3H3,(H,36,41);8-11,21-22,24,27H,4-7,12-20H2,1-3H3,(H,35,40);8-11,22,25,27H,5-7,12-20H2,1-4H3,(H,33,37)(H,34,39);7-10,21-22,25,27H,3-6,11-20H2,1-2H3,(H2,33,39)(H,34,40);7-10,22-23,26,28H,3-6,11-18,20-21H2,1-2H3,(H,34,39);6-9,20,22,24H,4-5,10-19H2,1-3H3,(H,31,36)(H,32,39);8-11,18-19,21-23,25,33H,4-7,12-17H2,1-3H3,(H,31,36)(H,32,37)/t2*22-,25-,29+,33-;22-,25-,28+,32-;22-,25?,28+,32-;21-,24-,27+,31-;22-,25+,27-,32+;21-,25-,27+,32-;22-,26-,28+,32-;20-,22+,24-,30+;18-,21-,22?,23?,25+,30-/m1111101101/s1.
What are the key properties of (2R)-5-(4-chloropiperidin-1-yl)-N-[(2S,5R)-5-(cyclopentylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-4-oxopentanamide;(2R)-N-[(2S,5R)-1-(4-cyanophenyl)-5-(cyclopentylmethyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;(2R)-N-[(2S,5R)-5-(cyclopentylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-5-(3,3-difluoropiperidin-1-yl)-2-methyl-4-oxopentanamide;(2R)-N-[(2S,5R)-5-(cyclopentylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-5-(4,4-difluoropiperidin-1-yl)-2-methyl-4-oxopentanamide;(2R)-N-[(2S,5R)-5-(cyclopentylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-5-(3,3-difluoropyrrolidin-1-yl)-2-methyl-4-oxopentanamide;(2R)-N-[(2S,5R)-5-(cyclopentylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-4-oxo-5-[4-(trifluoromethyl)piperidin-1-yl]pentanamide;4-[(2S,5R)-5-(cyclopentylmethyl)-2-[[(2R)-2-methyl-5-morpholin-4-yl-4-oxopentanoyl]amino]-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexyl]benzamide;N-[(2R,5R)-6-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-5-[(4-methoxyphenyl)methyl]-3,6-dioxohexan-2-yl]-3-hydroxycyclobutane-1-carboxamide;(2R,5S)-2-[(4-methoxyphenyl)methyl]-N-[(2S)-3-(2-methylcyclopenten-1-yl)-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;(2R,5S)-2-[(4-methoxyphenyl)methyl]-N-[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-(2-oxopyrrolidin-1-yl)propan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide?
(2R)-5-(4-chloropiperidin-1-yl)-N-[(2S,5R)-5-(cyclopentylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-4-oxopentanamide;(2R)-N-[(2S,5R)-1-(4-cyanophenyl)-5-(cyclopentylmethyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;(2R)-N-[(2S,5R)-5-(cyclopentylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-5-(3,3-difluoropiperidin-1-yl)-2-methyl-4-oxopentanamide;(2R)-N-[(2S,5R)-5-(cyclopentylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-5-(4,4-difluoropiperidin-1-yl)-2-methyl-4-oxopentanamide;(2R)-N-[(2S,5R)-5-(cyclopentylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-5-(3,3-difluoropyrrolidin-1-yl)-2-methyl-4-oxopentanamide;(2R)-N-[(2S,5R)-5-(cyclopentylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-4-oxo-5-[4-(trifluoromethyl)piperidin-1-yl]pentanamide;4-[(2S,5R)-5-(cyclopentylmethyl)-2-[[(2R)-2-methyl-5-morpholin-4-yl-4-oxopentanoyl]amino]-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexyl]benzamide;N-[(2R,5R)-6-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-5-[(4-methoxyphenyl)methyl]-3,6-dioxohexan-2-yl]-3-hydroxycyclobutane-1-carboxamide;(2R,5S)-2-[(4-methoxyphenyl)methyl]-N-[(2S)-3-(2-methylcyclopenten-1-yl)-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;(2R,5S)-2-[(4-methoxyphenyl)methyl]-N-[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-(2-oxopyrrolidin-1-yl)propan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide has a molecular weight of 5902.65 g/mol, XLogP of 33.23, 155 rotatable bonds, 15 hydrogen bond donors, and 75 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-(4-chloropiperidin-1-yl)-N-[(2S,5R)-5-(cyclopentylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-4-oxopentanamide;(2R)-N-[(2S,5R)-1-(4-cyanophenyl)-5-(cyclopentylmethyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;(2R)-N-[(2S,5R)-5-(cyclopentylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-5-(3,3-difluoropiperidin-1-yl)-2-methyl-4-oxopentanamide;(2R)-N-[(2S,5R)-5-(cyclopentylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-5-(4,4-difluoropiperidin-1-yl)-2-methyl-4-oxopentanamide;(2R)-N-[(2S,5R)-5-(cyclopentylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-5-(3,3-difluoropyrrolidin-1-yl)-2-methyl-4-oxopentanamide;(2R)-N-[(2S,5R)-5-(cyclopentylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-4-oxo-5-[4-(trifluoromethyl)piperidin-1-yl]pentanamide;4-[(2S,5R)-5-(cyclopentylmethyl)-2-[[(2R)-2-methyl-5-morpholin-4-yl-4-oxopentanoyl]amino]-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexyl]benzamide;N-[(2R,5R)-6-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-5-[(4-methoxyphenyl)methyl]-3,6-dioxohexan-2-yl]-3-hydroxycyclobutane-1-carboxamide;(2R,5S)-2-[(4-methoxyphenyl)methyl]-N-[(2S)-3-(2-methylcyclopenten-1-yl)-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;(2R,5S)-2-[(4-methoxyphenyl)methyl]-N-[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-(2-oxopyrrolidin-1-yl)propan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide is sourced from PubChem (CID 161069170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).