About (2S)-N-[(2S,5R)-5-(cyclopentylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-4-oxopentanamide;(2R)-N-[(2S,5R)-5-(cyclopentylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-4-oxopentanamide;(2R,5S)-5-(3-hydroxypropanoylamino)-2-[(4-methoxyphenyl)methyl]-N-[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]-4-oxohexanamide;(2R,5S)-5-[3-(methoxymethoxy)propanoylamino]-2-[(4-methoxyphenyl)methyl]-N-[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]-4-oxohexanamide;(2R,5S)-2-[(4-methoxyphenyl)methyl]-N-[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]-4-oxo-5-[(2,2,2-trifluoroacetyl)amino]hexanamide
(2S)-N-[(2S,5R)-5-(cyclopentylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-4-oxopentanamide;(2R)-N-[(2S,5R)-5-(cyclopentylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-4-oxopentanamide;(2R,5S)-5-(3-hydroxypropanoylamino)-2-[(4-methoxyphenyl)methyl]-N-[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]-4-oxohexanamide;(2R,5S)-5-[3-(methoxymethoxy)propanoylamino]-2-[(4-methoxyphenyl)methyl]-N-[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]-4-oxohexanamide;(2R,5S)-2-[(4-methoxyphenyl)methyl]-N-[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]-4-oxo-5-[(2,2,2-trifluoroacetyl)amino]hexanamide (PubChem CID 158783166) has the molecular formula C152H191F3N10O35
and a molecular weight of 2775.23 g/mol. Its IUPAC name is (2S)-N-[(2S,5R)-5-(cyclopentylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-4-oxopentanamide;(2R)-N-[(2S,5R)-5-(cyclopentylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-4-oxopentanamide;(2R,5S)-5-(3-hydroxypropanoylamino)-2-[(4-methoxyphenyl)methyl]-N-[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]-4-oxohexanamide;(2R,5S)-5-[3-(methoxymethoxy)propanoylamino]-2-[(4-methoxyphenyl)methyl]-N-[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]-4-oxohexanamide;(2R,5S)-2-[(4-methoxyphenyl)methyl]-N-[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]-4-oxo-5-[(2,2,2-trifluoroacetyl)amino]hexanamide.
Frequently Asked Questions
What is the IUPAC name of (2S)-N-[(2S,5R)-5-(cyclopentylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-4-oxopentanamide;(2R)-N-[(2S,5R)-5-(cyclopentylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-4-oxopentanamide;(2R,5S)-5-(3-hydroxypropanoylamino)-2-[(4-methoxyphenyl)methyl]-N-[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]-4-oxohexanamide;(2R,5S)-5-[3-(methoxymethoxy)propanoylamino]-2-[(4-methoxyphenyl)methyl]-N-[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]-4-oxohexanamide;(2R,5S)-2-[(4-methoxyphenyl)methyl]-N-[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]-4-oxo-5-[(2,2,2-trifluoroacetyl)amino]hexanamide?
The IUPAC name of (2S)-N-[(2S,5R)-5-(cyclopentylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-4-oxopentanamide;(2R)-N-[(2S,5R)-5-(cyclopentylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-4-oxopentanamide;(2R,5S)-5-(3-hydroxypropanoylamino)-2-[(4-methoxyphenyl)methyl]-N-[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]-4-oxohexanamide;(2R,5S)-5-[3-(methoxymethoxy)propanoylamino]-2-[(4-methoxyphenyl)methyl]-N-[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]-4-oxohexanamide;(2R,5S)-2-[(4-methoxyphenyl)methyl]-N-[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]-4-oxo-5-[(2,2,2-trifluoroacetyl)amino]hexanamide (CID 158783166) is (2S)-N-[(2S,5R)-5-(cyclopentylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-4-oxopentanamide;(2R)-N-[(2S,5R)-5-(cyclopentylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-4-oxopentanamide;(2R,5S)-5-(3-hydroxypropanoylamino)-2-[(4-methoxyphenyl)methyl]-N-[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]-4-oxohexanamide;(2R,5S)-5-[3-(methoxymethoxy)propanoylamino]-2-[(4-methoxyphenyl)methyl]-N-[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]-4-oxohexanamide;(2R,5S)-2-[(4-methoxyphenyl)methyl]-N-[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]-4-oxo-5-[(2,2,2-trifluoroacetyl)amino]hexanamide.
What is the SMILES notation for (2S)-N-[(2S,5R)-5-(cyclopentylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-4-oxopentanamide;(2R)-N-[(2S,5R)-5-(cyclopentylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-4-oxopentanamide;(2R,5S)-5-(3-hydroxypropanoylamino)-2-[(4-methoxyphenyl)methyl]-N-[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]-4-oxohexanamide;(2R,5S)-5-[3-(methoxymethoxy)propanoylamino]-2-[(4-methoxyphenyl)methyl]-N-[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]-4-oxohexanamide;(2R,5S)-2-[(4-methoxyphenyl)methyl]-N-[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]-4-oxo-5-[(2,2,2-trifluoroacetyl)amino]hexanamide?
The canonical SMILES for (2S)-N-[(2S,5R)-5-(cyclopentylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-4-oxopentanamide;(2R)-N-[(2S,5R)-5-(cyclopentylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-4-oxopentanamide;(2R,5S)-5-(3-hydroxypropanoylamino)-2-[(4-methoxyphenyl)methyl]-N-[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]-4-oxohexanamide;(2R,5S)-5-[3-(methoxymethoxy)propanoylamino]-2-[(4-methoxyphenyl)methyl]-N-[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]-4-oxohexanamide;(2R,5S)-2-[(4-methoxyphenyl)methyl]-N-[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]-4-oxo-5-[(2,2,2-trifluoroacetyl)amino]hexanamide is COCOCCC(=O)N[C@@H](C)C(=O)C[C@@H](Cc1ccc(OC)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[C@@]1(C)CO1.COc1ccc(C[C@H](CC(=O)[C@H](C)NC(=O)C(F)(F)F)C(=O)N[C@@H](Cc2ccccc2)C(=O)[C@@]2(C)CO2)cc1.COc1ccc(C[C@H](CC(=O)[C@H](C)NC(=O)CCO)C(=O)N[C@@H](Cc2ccccc2)C(=O)[C@@]2(C)CO2)cc1.COc1ccc(C[C@H](NC(=O)[C@@H](C)CC(=O)Cc2cc(C)no2)C(=O)C[C@@H](CC2CCCC2)C(=O)[C@@]2(C)CO2)cc1.COc1ccc(C[C@H](NC(=O)[C@H](C)CC(=O)Cc2cc(C)no2)C(=O)C[C@@H](CC2CCCC2)C(=O)[C@@]2(C)CO2)cc1.
What is the InChIKey of (2S)-N-[(2S,5R)-5-(cyclopentylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-4-oxopentanamide;(2R)-N-[(2S,5R)-5-(cyclopentylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-4-oxopentanamide;(2R,5S)-5-(3-hydroxypropanoylamino)-2-[(4-methoxyphenyl)methyl]-N-[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]-4-oxohexanamide;(2R,5S)-5-[3-(methoxymethoxy)propanoylamino]-2-[(4-methoxyphenyl)methyl]-N-[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]-4-oxohexanamide;(2R,5S)-2-[(4-methoxyphenyl)methyl]-N-[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]-4-oxo-5-[(2,2,2-trifluoroacetyl)amino]hexanamide?
The InChIKey is IRIMSLYDFHPMDI-AEQLBSMUSA-N. The full InChI is InChI=1S/2C32H42N2O7.C31H40N2O8.C29H36N2O7.C28H31F3N2O6/c2*1-20(13-25(35)18-27-14-21(2)34-41-27)31(38)33-28(16-23-9-11-26(39-4)12-10-23)29(36)17-24(15-22-7-5-6-8-22)30(37)32(3)19-40-32;1-21(32-28(35)14-15-40-20-38-3)27(34)18-24(16-23-10-12-25(39-4)13-11-23)30(37)33-26(29(36)31(2)19-41-31)17-22-8-6-5-7-9-22;1-19(30-26(34)13-14-32)25(33)17-22(15-21-9-11-23(37-3)12-10-21)28(36)31-24(27(35)29(2)18-38-29)16-20-7-5-4-6-8-20;1-17(32-26(37)28(29,30)31)23(34)15-20(13-19-9-11-21(38-3)12-10-19)25(36)33-22(24(35)27(2)16-39-27)14-18-7-5-4-6-8-18/h2*9-12,14,20,22,24,28H,5-8,13,15-19H2,1-4H3,(H,33,38);5-13,21,24,26H,14-20H2,1-4H3,(H,32,35)(H,33,37);4-12,19,22,24,32H,13-18H2,1-3H3,(H,30,34)(H,31,36);4-12,17,20,22H,13-16H2,1-3H3,(H,32,37)(H,33,36)/t20-,24+,28-,32+;20-,24-,28+,32-;21-,24+,26-,31+;19-,22+,24-,29+;17-,20+,22-,27+/m01000/s1.
What are the key properties of (2S)-N-[(2S,5R)-5-(cyclopentylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-4-oxopentanamide;(2R)-N-[(2S,5R)-5-(cyclopentylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-4-oxopentanamide;(2R,5S)-5-(3-hydroxypropanoylamino)-2-[(4-methoxyphenyl)methyl]-N-[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]-4-oxohexanamide;(2R,5S)-5-[3-(methoxymethoxy)propanoylamino]-2-[(4-methoxyphenyl)methyl]-N-[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]-4-oxohexanamide;(2R,5S)-2-[(4-methoxyphenyl)methyl]-N-[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]-4-oxo-5-[(2,2,2-trifluoroacetyl)amino]hexanamide?
(2S)-N-[(2S,5R)-5-(cyclopentylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-4-oxopentanamide;(2R)-N-[(2S,5R)-5-(cyclopentylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-4-oxopentanamide;(2R,5S)-5-(3-hydroxypropanoylamino)-2-[(4-methoxyphenyl)methyl]-N-[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]-4-oxohexanamide;(2R,5S)-5-[3-(methoxymethoxy)propanoylamino]-2-[(4-methoxyphenyl)methyl]-N-[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]-4-oxohexanamide;(2R,5S)-2-[(4-methoxyphenyl)methyl]-N-[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]-4-oxo-5-[(2,2,2-trifluoroacetyl)amino]hexanamide has a molecular weight of 2775.23 g/mol, XLogP of 15.91, 78 rotatable bonds, 9 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2S,5R)-5-(cyclopentylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-4-oxopentanamide;(2R)-N-[(2S,5R)-5-(cyclopentylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-4-oxopentanamide;(2R,5S)-5-(3-hydroxypropanoylamino)-2-[(4-methoxyphenyl)methyl]-N-[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]-4-oxohexanamide;(2R,5S)-5-[3-(methoxymethoxy)propanoylamino]-2-[(4-methoxyphenyl)methyl]-N-[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]-4-oxohexanamide;(2R,5S)-2-[(4-methoxyphenyl)methyl]-N-[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]-4-oxo-5-[(2,2,2-trifluoroacetyl)amino]hexanamide is sourced from PubChem (CID 158783166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).