C165H212N12O34 — CID 158741412
N-[3-[4-(aminomethyl)phenyl]-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]-2-[(4-methoxyphenyl)methyl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;4-hydroxy-N-[6-[[3-(4-hydroxyphenyl)-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-5-[(4-methoxyphenyl)methyl]-3,6-dioxohexan-2-yl]cyclohexane-1-carboxamide;4-hydroxy-N-[5-[(4-methoxyphenyl)methyl]-6-[[1-(2-methyloxiran-2-yl)-3-(4-methylphenyl)-1-oxopropan-2-yl]amino]-3,6-dioxohexan-2-yl]cyclohexane-1-carboxamide;N-[5-[(4-methoxyphenyl)methyl]-6-[[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-3,6-dioxohexan-2-yl]cyclohexanecarboxamide;N-[5-[(4-methoxyphenyl)methyl]-6-[[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-3,6-dioxohexan-2-yl]cyclopentanecarboxamide (PubChem CID 158741412) has the molecular formula C165H212N12O34 and a molecular weight of 2907.56 g/mol. Its IUPAC name is N-[3-[4-(aminomethyl)phenyl]-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]-2-[(4-methoxyphenyl)methyl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;4-hydroxy-N-[6-[[3-(4-hydroxyphenyl)-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-5-[(4-methoxyphenyl)methyl]-3,6-dioxohexan-2-yl]cyclohexane-1-carboxamide;4-hydroxy-N-[5-[(4-methoxyphenyl)methyl]-6-[[1-(2-methyloxiran-2-yl)-3-(4-methylphenyl)-1-oxopropan-2-yl]amino]-3,6-dioxohexan-2-yl]cyclohexane-1-carboxamide;N-[5-[(4-methoxyphenyl)methyl]-6-[[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-3,6-dioxohexan-2-yl]cyclohexanecarboxamide;N-[5-[(4-methoxyphenyl)methyl]-6-[[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-3,6-dioxohexan-2-yl]cyclopentanecarboxamide.
| Compound Name | N-[3-[4-(aminomethyl)phenyl]-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]-2-[(4-methoxyphenyl)methyl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;4-hydroxy-N-[6-[[3-(4-hydroxyphenyl)-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-5-[(4-methoxyphenyl)methyl]-3,6-dioxohexan-2-yl]cyclohexane-1-carboxamide;4-hydroxy-N-[5-[(4-methoxyphenyl)methyl]-6-[[1-(2-methyloxiran-2-yl)-3-(4-methylphenyl)-1-oxopropan-2-yl]amino]-3,6-dioxohexan-2-yl]cyclohexane-1-carboxamide;N-[5-[(4-methoxyphenyl)methyl]-6-[[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-3,6-dioxohexan-2-yl]cyclohexanecarboxamide;N-[5-[(4-methoxyphenyl)methyl]-6-[[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-3,6-dioxohexan-2-yl]cyclopentanecarboxamide |
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| PubChem CID | 158741412 |
| Molecular Formula | C165H212N12O34 |
| Molecular Weight | 2907.56 g/mol |
| Exact Mass | 2905.52 |
| IUPAC Name | N-[3-[4-(aminomethyl)phenyl]-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]-2-[(4-methoxyphenyl)methyl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;4-hydroxy-N-[6-[[3-(4-hydroxyphenyl)-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-5-[(4-methoxyphenyl)methyl]-3,6-dioxohexan-2-yl]cyclohexane-1-carboxamide;4-hydroxy-N-[5-[(4-methoxyphenyl)methyl]-6-[[1-(2-methyloxiran-2-yl)-3-(4-methylphenyl)-1-oxopropan-2-yl]amino]-3,6-dioxohexan-2-yl]cyclohexane-1-carboxamide;N-[5-[(4-methoxyphenyl)methyl]-6-[[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-3,6-dioxohexan-2-yl]cyclohexanecarboxamide;N-[5-[(4-methoxyphenyl)methyl]-6-[[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-3,6-dioxohexan-2-yl]cyclopentanecarboxamide |
| SMILES | COc1ccc(CC(CC(=O)C(C)NC(=O)C2CCC(O)CC2)C(=O)NC(Cc2ccc(C)cc2)C(=O)C2(C)CO2)cc1.COc1ccc(CC(CC(=O)C(C)NC(=O)C2CCC(O)CC2)C(=O)NC(Cc2ccc(O)cc2)C(=O)C2(C)CO2)cc1.COc1ccc(CC(CC(=O)C(C)NC(=O)C2CCCC2)C(=O)NC(Cc2ccccc2)C(=O)C2(C)CO2)cc1.COc1ccc(CC(CC(=O)C(C)NC(=O)C2CCCCC2)C(=O)NC(Cc2ccccc2)C(=O)C2(C)CO2)cc1.COc1ccc(CC(CC(=O)C(C)NC(=O)CN2CCOCC2)C(=O)NC(Cc2ccc(CN)cc2)C(=O)C2(C)CO2)cc1 |
| InChI | InChI=1S/C34H44N2O7.C33H44N4O7.C33H42N2O8.C33H42N2O6.C32H40N2O6/c1-21-5-7-24(8-6-21)18-29(31(39)34(3)20-43-34)36-33(41)26(17-23-9-15-28(42-4)16-10-23)19-30(38)22(2)35-32(40)25-11-13-27(37)14-12-25;1-22(35-30(39)20-37-12-14-43-15-13-37)29(38)18-26(16-23-8-10-27(42-3)11-9-23)32(41)36-28(31(40)33(2)21-44-33)17-24-4-6-25(19-34)7-5-24;1-20(34-31(40)23-8-12-26(37)13-9-23)29(38)18-24(16-21-6-14-27(42-3)15-7-21)32(41)35-28(30(39)33(2)19-43-33)17-22-4-10-25(36)11-5-22;1-22(34-31(38)25-12-8-5-9-13-25)29(36)20-26(18-24-14-16-27(40-3)17-15-24)32(39)35-28(30(37)33(2)21-41-33)19-23-10-6-4-7-11-23;1-21(33-30(37)24-11-7-8-12-24)28(35)19-25(17-23-13-15-26(39-3)16-14-23)31(38)34-27(29(36)32(2)20-40-32)18-22-9-5-4-6-10-22/h5-10,15-16,22,25-27,29,37H,11-14,17-20H2,1-4H3,(H,35,40)(H,36,41);4-11,22,26,28H,12-21,34H2,1-3H3,(H,35,39)(H,36,41);4-7,10-11,14-15,20,23-24,26,28,36-37H,8-9,12-13,16-19H2,1-3H3,(H,34,40)(H,35,41);4,6-7,10-11,14-17,22,25-26,28H,5,8-9,12-13,18-21H2,1-3H3,(H,34,38)(H,35,39);4-6,9-10,13-16,21,24-25,27H,7-8,11-12,17-20H2,1-3H3,(H,33,37)(H,34,38) |
| InChIKey | IMIPEQJUMSRDKC-UHFFFAOYSA-N |
| XLogP | 14.69 |
| TPSA | 669.68 Ų |
| H-Bond Donors | 14 |
| H-Bond Acceptors | 36 |
| Rotatable Bonds | 72 |
| Heavy Atoms | 211 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2907.56 |
| LogP ≤ 5 | 14.69 |
| H-Bond Donors ≤ 5 | 14 |
| H-Bond Acceptors ≤ 10 | 36 |
| Structural Alerts | {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'} |
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