2-[(2,4-dihydroxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;N-[3-(3,5-dihydroxyphenyl)-1-[[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;2-[(2-hydroxy-4-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;2-[(4-hydroxy-2-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;N-[3-(3-hydroxy-5-methoxyphenyl)-1-[[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide

C158H201N15O40 — CID 159474654

IUPAC2-[(2,4-dihydroxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;N-[3-(3,5-dihydroxyphenyl)-1-[[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;2-[(2-hydroxy-4-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;2-[(4-hydroxy-2-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;N-[3-(3-hydroxy-5-methoxyphenyl)-1-[[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide
SMILESCC(CC(=O)CN1CCOCC1)C(=O)NC(Cc1cc(O)cc(O)c1)C(=O)NC(Cc1ccccc1)C(=O)C1(C)CO1.CC(NC(=O)CN1CCOCC1)C(=O)CC(Cc1ccc(O)cc1O)C(=O)NC(Cc1ccccc1)C(=O)C1(C)CO1.COc1cc(O)cc(CC(NC(=O)C(C)CC(=O)CN2CCOCC2)C(=O)NC(Cc2ccccc2)C(=O)C2(C)CO2)c1.COc1cc(O)ccc1CC(CC(=O)C(C)NC(=O)CN1CCOCC1)C(=O)NC(Cc1ccccc1)C(=O)C1(C)CO1.COc1ccc(CC(CC(=O)C(C)NC(=O)CN2CCOCC2)C(=O)NC(Cc2ccccc2)C(=O)C2(C)CO2)c(O)c1
InChIInChI=1S/3C32H41N3O8.2C31H39N3O8/c1-21(13-25(37)19-35-9-11-42-12-10-35)30(39)34-28(17-23-14-24(36)18-26(15-23)41-3)31(40)33-27(29(38)32(2)20-43-32)16-22-7-5-4-6-8-22;1-21(33-29(38)19-35-11-13-42-14-12-35)27(36)17-24(16-23-9-10-25(41-3)18-28(23)37)31(40)34-26(30(39)32(2)20-43-32)15-22-7-5-4-6-8-22;1-21(33-29(38)19-35-11-13-42-14-12-35)27(37)17-24(16-23-9-10-25(36)18-28(23)41-3)31(40)34-26(30(39)32(2)20-43-32)15-22-7-5-4-6-8-22;1-20(12-25(37)18-34-8-10-41-11-9-34)29(39)33-27(16-22-13-23(35)17-24(36)14-22)30(40)32-26(28(38)31(2)19-42-31)15-21-6-4-3-5-7-21;1-20(32-28(38)18-34-10-12-41-13-11-34)26(36)16-23(15-22-8-9-24(35)17-27(22)37)30(40)33-25(29(39)31(2)19-42-31)14-21-6-4-3-5-7-21/h4-8,14-15,18,21,27-28,36H,9-13,16-17,19-20H2,1-3H3,(H,33,40)(H,34,39);4-10,18,21,24,26,37H,11-17,19-20H2,1-3H3,(H,33,38)(H,34,40);4-10,18,21,24,26,36H,11-17,19-20H2,1-3H3,(H,33,38)(H,34,40);3-7,13-14,17,20,26-27,35-36H,8-12,15-16,18-19H2,1-2H3,(H,32,40)(H,33,39);3-9,17,20,23,25,35,37H,10-16,18-19H2,1-2H3,(H,32,38)(H,33,40)
InChIKeyLWFOIZQIEICKFJ-UHFFFAOYSA-N
MW2950.41 g/mol
LogP6.60
Rot. Bonds73

About 2-[(2,4-dihydroxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;N-[3-(3,5-dihydroxyphenyl)-1-[[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;2-[(2-hydroxy-4-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;2-[(4-hydroxy-2-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;N-[3-(3-hydroxy-5-methoxyphenyl)-1-[[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide

2-[(2,4-dihydroxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;N-[3-(3,5-dihydroxyphenyl)-1-[[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;2-[(2-hydroxy-4-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;2-[(4-hydroxy-2-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;N-[3-(3-hydroxy-5-methoxyphenyl)-1-[[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide (PubChem CID 159474654) has the molecular formula C158H201N15O40 and a molecular weight of 2950.41 g/mol. Its IUPAC name is 2-[(2,4-dihydroxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;N-[3-(3,5-dihydroxyphenyl)-1-[[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;2-[(2-hydroxy-4-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;2-[(4-hydroxy-2-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;N-[3-(3-hydroxy-5-methoxyphenyl)-1-[[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide.

Molecular Properties

Compound Name2-[(2,4-dihydroxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;N-[3-(3,5-dihydroxyphenyl)-1-[[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;2-[(2-hydroxy-4-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;2-[(4-hydroxy-2-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;N-[3-(3-hydroxy-5-methoxyphenyl)-1-[[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide
PubChem CID159474654
Molecular FormulaC158H201N15O40
Molecular Weight2950.41 g/mol
Exact Mass2948.42
IUPAC Name2-[(2,4-dihydroxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;N-[3-(3,5-dihydroxyphenyl)-1-[[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;2-[(2-hydroxy-4-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;2-[(4-hydroxy-2-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;N-[3-(3-hydroxy-5-methoxyphenyl)-1-[[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide
SMILESCC(CC(=O)CN1CCOCC1)C(=O)NC(Cc1cc(O)cc(O)c1)C(=O)NC(Cc1ccccc1)C(=O)C1(C)CO1.CC(NC(=O)CN1CCOCC1)C(=O)CC(Cc1ccc(O)cc1O)C(=O)NC(Cc1ccccc1)C(=O)C1(C)CO1.COc1cc(O)cc(CC(NC(=O)C(C)CC(=O)CN2CCOCC2)C(=O)NC(Cc2ccccc2)C(=O)C2(C)CO2)c1.COc1cc(O)ccc1CC(CC(=O)C(C)NC(=O)CN1CCOCC1)C(=O)NC(Cc1ccccc1)C(=O)C1(C)CO1.COc1ccc(CC(CC(=O)C(C)NC(=O)CN2CCOCC2)C(=O)NC(Cc2ccccc2)C(=O)C2(C)CO2)c(O)c1
InChIInChI=1S/3C32H41N3O8.2C31H39N3O8/c1-21(13-25(37)19-35-9-11-42-12-10-35)30(39)34-28(17-23-14-24(36)18-26(15-23)41-3)31(40)33-27(29(38)32(2)20-43-32)16-22-7-5-4-6-8-22;1-21(33-29(38)19-35-11-13-42-14-12-35)27(36)17-24(16-23-9-10-25(41-3)18-28(23)37)31(40)34-26(30(39)32(2)20-43-32)15-22-7-5-4-6-8-22;1-21(33-29(38)19-35-11-13-42-14-12-35)27(37)17-24(16-23-9-10-25(36)18-28(23)41-3)31(40)34-26(30(39)32(2)20-43-32)15-22-7-5-4-6-8-22;1-20(12-25(37)18-34-8-10-41-11-9-34)29(39)33-27(16-22-13-23(35)17-24(36)14-22)30(40)32-26(28(38)31(2)19-42-31)15-21-6-4-3-5-7-21;1-20(32-28(38)18-34-10-12-41-13-11-34)26(36)16-23(15-22-8-9-24(35)17-27(22)37)30(40)33-25(29(39)31(2)19-42-31)14-21-6-4-3-5-7-21/h4-8,14-15,18,21,27-28,36H,9-13,16-17,19-20H2,1-3H3,(H,33,40)(H,34,39);4-10,18,21,24,26,37H,11-17,19-20H2,1-3H3,(H,33,38)(H,34,40);4-10,18,21,24,26,36H,11-17,19-20H2,1-3H3,(H,33,38)(H,34,40);3-7,13-14,17,20,26-27,35-36H,8-12,15-16,18-19H2,1-2H3,(H,32,40)(H,33,39);3-9,17,20,23,25,35,37H,10-16,18-19H2,1-2H3,(H,32,38)(H,33,40)
InChIKeyLWFOIZQIEICKFJ-UHFFFAOYSA-N
XLogP6.60
TPSA756.00 Ų
H-Bond Donors17
H-Bond Acceptors45
Rotatable Bonds73
Heavy Atoms213
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002950.41
LogP ≤ 56.60
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1045

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-[(2,4-dihydroxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;N-[3-(3,5-dihydroxyphenyl)-1-[[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;2-[(2-hydroxy-4-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;2-[(4-hydroxy-2-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;N-[3-(3-hydroxy-5-methoxyphenyl)-1-[[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dihydroxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;N-[3-(3,5-dihydroxyphenyl)-1-[[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;2-[(2-hydroxy-4-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;2-[(4-hydroxy-2-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;N-[3-(3-hydroxy-5-methoxyphenyl)-1-[[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide?
The IUPAC name of 2-[(2,4-dihydroxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;N-[3-(3,5-dihydroxyphenyl)-1-[[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;2-[(2-hydroxy-4-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;2-[(4-hydroxy-2-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;N-[3-(3-hydroxy-5-methoxyphenyl)-1-[[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide (CID 159474654) is 2-[(2,4-dihydroxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;N-[3-(3,5-dihydroxyphenyl)-1-[[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;2-[(2-hydroxy-4-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;2-[(4-hydroxy-2-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;N-[3-(3-hydroxy-5-methoxyphenyl)-1-[[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide.
What is the SMILES notation for 2-[(2,4-dihydroxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;N-[3-(3,5-dihydroxyphenyl)-1-[[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;2-[(2-hydroxy-4-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;2-[(4-hydroxy-2-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;N-[3-(3-hydroxy-5-methoxyphenyl)-1-[[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide?
The canonical SMILES for 2-[(2,4-dihydroxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;N-[3-(3,5-dihydroxyphenyl)-1-[[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;2-[(2-hydroxy-4-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;2-[(4-hydroxy-2-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;N-[3-(3-hydroxy-5-methoxyphenyl)-1-[[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide is CC(CC(=O)CN1CCOCC1)C(=O)NC(Cc1cc(O)cc(O)c1)C(=O)NC(Cc1ccccc1)C(=O)C1(C)CO1.CC(NC(=O)CN1CCOCC1)C(=O)CC(Cc1ccc(O)cc1O)C(=O)NC(Cc1ccccc1)C(=O)C1(C)CO1.COc1cc(O)cc(CC(NC(=O)C(C)CC(=O)CN2CCOCC2)C(=O)NC(Cc2ccccc2)C(=O)C2(C)CO2)c1.COc1cc(O)ccc1CC(CC(=O)C(C)NC(=O)CN1CCOCC1)C(=O)NC(Cc1ccccc1)C(=O)C1(C)CO1.COc1ccc(CC(CC(=O)C(C)NC(=O)CN2CCOCC2)C(=O)NC(Cc2ccccc2)C(=O)C2(C)CO2)c(O)c1.
What is the InChIKey of 2-[(2,4-dihydroxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;N-[3-(3,5-dihydroxyphenyl)-1-[[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;2-[(2-hydroxy-4-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;2-[(4-hydroxy-2-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;N-[3-(3-hydroxy-5-methoxyphenyl)-1-[[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide?
The InChIKey is LWFOIZQIEICKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C32H41N3O8.2C31H39N3O8/c1-21(13-25(37)19-35-9-11-42-12-10-35)30(39)34-28(17-23-14-24(36)18-26(15-23)41-3)31(40)33-27(29(38)32(2)20-43-32)16-22-7-5-4-6-8-22;1-21(33-29(38)19-35-11-13-42-14-12-35)27(36)17-24(16-23-9-10-25(41-3)18-28(23)37)31(40)34-26(30(39)32(2)20-43-32)15-22-7-5-4-6-8-22;1-21(33-29(38)19-35-11-13-42-14-12-35)27(37)17-24(16-23-9-10-25(36)18-28(23)41-3)31(40)34-26(30(39)32(2)20-43-32)15-22-7-5-4-6-8-22;1-20(12-25(37)18-34-8-10-41-11-9-34)29(39)33-27(16-22-13-23(35)17-24(36)14-22)30(40)32-26(28(38)31(2)19-42-31)15-21-6-4-3-5-7-21;1-20(32-28(38)18-34-10-12-41-13-11-34)26(36)16-23(15-22-8-9-24(35)17-27(22)37)30(40)33-25(29(39)31(2)19-42-31)14-21-6-4-3-5-7-21/h4-8,14-15,18,21,27-28,36H,9-13,16-17,19-20H2,1-3H3,(H,33,40)(H,34,39);4-10,18,21,24,26,37H,11-17,19-20H2,1-3H3,(H,33,38)(H,34,40);4-10,18,21,24,26,36H,11-17,19-20H2,1-3H3,(H,33,38)(H,34,40);3-7,13-14,17,20,26-27,35-36H,8-12,15-16,18-19H2,1-2H3,(H,32,40)(H,33,39);3-9,17,20,23,25,35,37H,10-16,18-19H2,1-2H3,(H,32,38)(H,33,40).
What are the key properties of 2-[(2,4-dihydroxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;N-[3-(3,5-dihydroxyphenyl)-1-[[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;2-[(2-hydroxy-4-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;2-[(4-hydroxy-2-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;N-[3-(3-hydroxy-5-methoxyphenyl)-1-[[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide?
2-[(2,4-dihydroxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;N-[3-(3,5-dihydroxyphenyl)-1-[[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;2-[(2-hydroxy-4-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;2-[(4-hydroxy-2-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;N-[3-(3-hydroxy-5-methoxyphenyl)-1-[[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide has a molecular weight of 2950.41 g/mol, XLogP of 6.60, 73 rotatable bonds, 17 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dihydroxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;N-[3-(3,5-dihydroxyphenyl)-1-[[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;2-[(2-hydroxy-4-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;2-[(4-hydroxy-2-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;N-[3-(3-hydroxy-5-methoxyphenyl)-1-[[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide is sourced from PubChem (CID 159474654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).