About (2R,5S)-2-benzyl-N-[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;(2R,5S)-N-[(2S)-3-[4-(hydroxymethyl)phenyl]-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]-2-[(4-methoxyphenyl)methyl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;(2R,5S)-2-[(4-methoxyphenyl)methyl]-N-[(1R)-2-[(2R)-2-methyloxiran-2-yl]-1-(4-methylphenyl)-2-oxoethyl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;(2R)-N-[(2S,5R)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-5-(3-methylphenyl)-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;(2R)-N-[(2S,5S)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-5-(3-methylphenyl)-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide
(2R,5S)-2-benzyl-N-[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;(2R,5S)-N-[(2S)-3-[4-(hydroxymethyl)phenyl]-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]-2-[(4-methoxyphenyl)methyl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;(2R,5S)-2-[(4-methoxyphenyl)methyl]-N-[(1R)-2-[(2R)-2-methyloxiran-2-yl]-1-(4-methylphenyl)-2-oxoethyl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;(2R)-N-[(2S,5R)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-5-(3-methylphenyl)-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;(2R)-N-[(2S,5S)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-5-(3-methylphenyl)-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide (PubChem CID 160601878) has the molecular formula C162H207N13O35
and a molecular weight of 2896.49 g/mol. Its IUPAC name is (2R,5S)-2-benzyl-N-[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;(2R,5S)-N-[(2S)-3-[4-(hydroxymethyl)phenyl]-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]-2-[(4-methoxyphenyl)methyl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;(2R,5S)-2-[(4-methoxyphenyl)methyl]-N-[(1R)-2-[(2R)-2-methyloxiran-2-yl]-1-(4-methylphenyl)-2-oxoethyl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;(2R)-N-[(2S,5R)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-5-(3-methylphenyl)-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;(2R)-N-[(2S,5S)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-5-(3-methylphenyl)-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide.
Frequently Asked Questions
What is the IUPAC name of (2R,5S)-2-benzyl-N-[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;(2R,5S)-N-[(2S)-3-[4-(hydroxymethyl)phenyl]-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]-2-[(4-methoxyphenyl)methyl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;(2R,5S)-2-[(4-methoxyphenyl)methyl]-N-[(1R)-2-[(2R)-2-methyloxiran-2-yl]-1-(4-methylphenyl)-2-oxoethyl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;(2R)-N-[(2S,5R)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-5-(3-methylphenyl)-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;(2R)-N-[(2S,5S)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-5-(3-methylphenyl)-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide?
The IUPAC name of (2R,5S)-2-benzyl-N-[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;(2R,5S)-N-[(2S)-3-[4-(hydroxymethyl)phenyl]-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]-2-[(4-methoxyphenyl)methyl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;(2R,5S)-2-[(4-methoxyphenyl)methyl]-N-[(1R)-2-[(2R)-2-methyloxiran-2-yl]-1-(4-methylphenyl)-2-oxoethyl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;(2R)-N-[(2S,5R)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-5-(3-methylphenyl)-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;(2R)-N-[(2S,5S)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-5-(3-methylphenyl)-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide (CID 160601878) is (2R,5S)-2-benzyl-N-[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;(2R,5S)-N-[(2S)-3-[4-(hydroxymethyl)phenyl]-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]-2-[(4-methoxyphenyl)methyl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;(2R,5S)-2-[(4-methoxyphenyl)methyl]-N-[(1R)-2-[(2R)-2-methyloxiran-2-yl]-1-(4-methylphenyl)-2-oxoethyl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;(2R)-N-[(2S,5R)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-5-(3-methylphenyl)-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;(2R)-N-[(2S,5S)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-5-(3-methylphenyl)-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide.
What is the SMILES notation for (2R,5S)-2-benzyl-N-[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;(2R,5S)-N-[(2S)-3-[4-(hydroxymethyl)phenyl]-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]-2-[(4-methoxyphenyl)methyl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;(2R,5S)-2-[(4-methoxyphenyl)methyl]-N-[(1R)-2-[(2R)-2-methyloxiran-2-yl]-1-(4-methylphenyl)-2-oxoethyl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;(2R)-N-[(2S,5R)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-5-(3-methylphenyl)-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;(2R)-N-[(2S,5S)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-5-(3-methylphenyl)-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide?
The canonical SMILES for (2R,5S)-2-benzyl-N-[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;(2R,5S)-N-[(2S)-3-[4-(hydroxymethyl)phenyl]-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]-2-[(4-methoxyphenyl)methyl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;(2R,5S)-2-[(4-methoxyphenyl)methyl]-N-[(1R)-2-[(2R)-2-methyloxiran-2-yl]-1-(4-methylphenyl)-2-oxoethyl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;(2R)-N-[(2S,5R)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-5-(3-methylphenyl)-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;(2R)-N-[(2S,5S)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-5-(3-methylphenyl)-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide is COc1ccc(CC(CC(=O)[C@H](C)NC(=O)CN2CCOCC2)C(=O)N[C@@H](C(=O)[C@@]2(C)CO2)c2ccc(C)cc2)cc1.COc1ccc(C[C@H](CC(=O)[C@H](C)NC(=O)CN2CCOCC2)C(=O)N[C@@H](Cc2ccc(CO)cc2)C(=O)[C@@]2(C)CO2)cc1.COc1ccc(C[C@H](NC(=O)[C@H](C)CC(=O)CN2CCOCC2)C(=O)C[C@@H](C(=O)[C@@]2(C)CO2)c2cccc(C)c2)cc1.COc1ccc(C[C@H](NC(=O)[C@H](C)CC(=O)CN2CCOCC2)C(=O)C[C@H](C(=O)[C@@]2(C)CO2)c2cccc(C)c2)cc1.C[C@H](NC(=O)CN1CCOCC1)C(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[C@@]1(C)CO1.
What is the InChIKey of (2R,5S)-2-benzyl-N-[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;(2R,5S)-N-[(2S)-3-[4-(hydroxymethyl)phenyl]-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]-2-[(4-methoxyphenyl)methyl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;(2R,5S)-2-[(4-methoxyphenyl)methyl]-N-[(1R)-2-[(2R)-2-methyloxiran-2-yl]-1-(4-methylphenyl)-2-oxoethyl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;(2R)-N-[(2S,5R)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-5-(3-methylphenyl)-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;(2R)-N-[(2S,5S)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-5-(3-methylphenyl)-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide?
The InChIKey is REJNNOFCEAEWRE-HVQYCUQVSA-N. The full InChI is InChI=1S/C33H43N3O8.2C33H42N2O7.C32H41N3O7.C31H39N3O6/c1-22(34-30(39)19-36-12-14-43-15-13-36)29(38)18-26(16-23-8-10-27(42-3)11-9-23)32(41)35-28(31(40)33(2)21-44-33)17-24-4-6-25(20-37)7-5-24;2*1-22-6-5-7-25(16-22)28(31(38)33(3)21-42-33)19-30(37)29(18-24-8-10-27(40-4)11-9-24)34-32(39)23(2)17-26(36)20-35-12-14-41-15-13-35;1-21-5-9-24(10-6-21)29(30(38)32(3)20-42-32)34-31(39)25(17-23-7-11-26(40-4)12-8-23)18-27(36)22(2)33-28(37)19-35-13-15-41-16-14-35;1-22(32-28(36)20-34-13-15-39-16-14-34)27(35)19-25(17-23-9-5-3-6-10-23)30(38)33-26(29(37)31(2)21-40-31)18-24-11-7-4-8-12-24/h4-11,22,26,28,37H,12-21H2,1-3H3,(H,34,39)(H,35,41);2*5-11,16,23,28-29H,12-15,17-21H2,1-4H3,(H,34,39);5-12,22,25,29H,13-20H2,1-4H3,(H,33,37)(H,34,39);3-12,22,25-26H,13-21H2,1-2H3,(H,32,36)(H,33,38)/t22-,26+,28-,33+;23-,28+,29+,33-;23-,28-,29+,33-;22-,25?,29+,32+;22-,25+,26-,31+/m01100/s1.
What are the key properties of (2R,5S)-2-benzyl-N-[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;(2R,5S)-N-[(2S)-3-[4-(hydroxymethyl)phenyl]-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]-2-[(4-methoxyphenyl)methyl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;(2R,5S)-2-[(4-methoxyphenyl)methyl]-N-[(1R)-2-[(2R)-2-methyloxiran-2-yl]-1-(4-methylphenyl)-2-oxoethyl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;(2R)-N-[(2S,5R)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-5-(3-methylphenyl)-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;(2R)-N-[(2S,5S)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-5-(3-methylphenyl)-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide?
(2R,5S)-2-benzyl-N-[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;(2R,5S)-N-[(2S)-3-[4-(hydroxymethyl)phenyl]-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]-2-[(4-methoxyphenyl)methyl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;(2R,5S)-2-[(4-methoxyphenyl)methyl]-N-[(1R)-2-[(2R)-2-methyloxiran-2-yl]-1-(4-methylphenyl)-2-oxoethyl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;(2R)-N-[(2S,5R)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-5-(3-methylphenyl)-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;(2R)-N-[(2S,5S)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-5-(3-methylphenyl)-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide has a molecular weight of 2896.49 g/mol, XLogP of 11.25, 74 rotatable bonds, 9 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-2-benzyl-N-[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;(2R,5S)-N-[(2S)-3-[4-(hydroxymethyl)phenyl]-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]-2-[(4-methoxyphenyl)methyl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;(2R,5S)-2-[(4-methoxyphenyl)methyl]-N-[(1R)-2-[(2R)-2-methyloxiran-2-yl]-1-(4-methylphenyl)-2-oxoethyl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;(2R)-N-[(2S,5R)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-5-(3-methylphenyl)-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;(2R)-N-[(2S,5S)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-5-(3-methylphenyl)-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide is sourced from PubChem (CID 160601878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).