C162H226F2N14O37 — CID 160607403
N-[3-(cyclohexen-1-yl)-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]-2-[hydroxy-(4-methoxyphenyl)methyl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;N-[5-(cyclopenten-1-ylmethyl)-1-hydroxy-1-(4-methoxyphenyl)-6-(2-methyloxiran-2-yl)-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;N-[5-(cyclopenten-1-ylmethyl)-1-(3-hydroxy-4-methoxyphenyl)-6-(2-methyloxiran-2-yl)-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;N-[3-cyclopentyl-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]-2-[[4-(1,1-difluoroethoxy)phenyl]methyl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;N-[3-cyclopentyl-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]-2-[(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)methyl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide (PubChem CID 160607403) has the molecular formula C162H226F2N14O37 and a molecular weight of 2999.65 g/mol. Its IUPAC name is N-[3-(cyclohexen-1-yl)-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]-2-[hydroxy-(4-methoxyphenyl)methyl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;N-[5-(cyclopenten-1-ylmethyl)-1-hydroxy-1-(4-methoxyphenyl)-6-(2-methyloxiran-2-yl)-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;N-[5-(cyclopenten-1-ylmethyl)-1-(3-hydroxy-4-methoxyphenyl)-6-(2-methyloxiran-2-yl)-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;N-[3-cyclopentyl-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]-2-[[4-(1,1-difluoroethoxy)phenyl]methyl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;N-[3-cyclopentyl-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]-2-[(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)methyl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide.
| Compound Name | N-[3-(cyclohexen-1-yl)-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]-2-[hydroxy-(4-methoxyphenyl)methyl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;N-[5-(cyclopenten-1-ylmethyl)-1-hydroxy-1-(4-methoxyphenyl)-6-(2-methyloxiran-2-yl)-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;N-[5-(cyclopenten-1-ylmethyl)-1-(3-hydroxy-4-methoxyphenyl)-6-(2-methyloxiran-2-yl)-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;N-[3-cyclopentyl-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]-2-[[4-(1,1-difluoroethoxy)phenyl]methyl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;N-[3-cyclopentyl-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]-2-[(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)methyl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide |
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| PubChem CID | 160607403 |
| Molecular Formula | C162H226F2N14O37 |
| Molecular Weight | 2999.65 g/mol |
| Exact Mass | 2997.62 |
| IUPAC Name | N-[3-(cyclohexen-1-yl)-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]-2-[hydroxy-(4-methoxyphenyl)methyl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;N-[5-(cyclopenten-1-ylmethyl)-1-hydroxy-1-(4-methoxyphenyl)-6-(2-methyloxiran-2-yl)-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;N-[5-(cyclopenten-1-ylmethyl)-1-(3-hydroxy-4-methoxyphenyl)-6-(2-methyloxiran-2-yl)-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;N-[3-cyclopentyl-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]-2-[[4-(1,1-difluoroethoxy)phenyl]methyl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;N-[3-cyclopentyl-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]-2-[(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)methyl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide |
| SMILES | C=C1CCc2cc(CC(CC(=O)C(C)NC(=O)CN3CCOCC3)C(=O)NC(CC3CCCC3)C(=O)C3(C)CO3)ccc2N1.CC(NC(=O)CN1CCOCC1)C(=O)CC(Cc1ccc(OC(C)(F)F)cc1)C(=O)NC(CC1CCCC1)C(=O)C1(C)CO1.COc1ccc(C(O)C(CC(=O)C(C)NC(=O)CN2CCOCC2)C(=O)NC(CC2=CCCCC2)C(=O)C2(C)CO2)cc1.COc1ccc(C(O)C(NC(=O)C(C)CC(=O)CN2CCOCC2)C(=O)CC(CC2=CCCC2)C(=O)C2(C)CO2)cc1.COc1ccc(CC(NC(=O)C(C)CC(=O)CN2CCOCC2)C(=O)CC(CC2=CCCC2)C(=O)C2(C)CO2)cc1O |
| InChI | InChI=1S/C34H48N4O6.C32H45F2N3O7.C32H45N3O8.2C32H44N2O8/c1-22-8-10-26-16-25(9-11-28(26)35-22)17-27(19-30(39)23(2)36-31(40)20-38-12-14-43-15-13-38)33(42)37-29(18-24-6-4-5-7-24)32(41)34(3)21-44-34;1-21(35-28(39)19-37-12-14-42-15-13-37)27(38)18-24(16-23-8-10-25(11-9-23)44-32(3,33)34)30(41)36-26(17-22-6-4-5-7-22)29(40)31(2)20-43-31;1-21(33-28(37)19-35-13-15-42-16-14-35)27(36)18-25(29(38)23-9-11-24(41-3)12-10-23)31(40)34-26(30(39)32(2)20-43-32)17-22-7-5-4-6-8-22;1-21(16-25(35)19-34-12-14-41-15-13-34)31(39)33-28(29(37)23-8-10-26(40-3)11-9-23)27(36)18-24(17-22-6-4-5-7-22)30(38)32(2)20-42-32;1-21(14-25(35)19-34-10-12-41-13-11-34)31(39)33-26(16-23-8-9-29(40-3)28(37)17-23)27(36)18-24(15-22-6-4-5-7-22)30(38)32(2)20-42-32/h9,11,16,23-24,27,29,35H,1,4-8,10,12-15,17-21H2,2-3H3,(H,36,40)(H,37,42);8-11,21-22,24,26H,4-7,12-20H2,1-3H3,(H,35,39)(H,36,41);7,9-12,21,25-26,29,38H,4-6,8,13-20H2,1-3H3,(H,33,37)(H,34,40);6,8-11,21,24,28-29,37H,4-5,7,12-20H2,1-3H3,(H,33,39);6,8-9,17,21,24,26,37H,4-5,7,10-16,18-20H2,1-3H3,(H,33,39) |
| InChIKey | RFBDLSZUYWANKU-UHFFFAOYSA-N |
| XLogP | 13.23 |
| TPSA | 672.28 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 43 |
| Rotatable Bonds | 77 |
| Heavy Atoms | 215 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2999.65 |
| LogP ≤ 5 | 13.23 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 43 |
| Structural Alerts | {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'} |
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