C148H195N3O24 — CID 161280336
2-[4-tert-butyl-2-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-3-[(5-tert-butyl-2-methoxyphenyl)methyl]-2-(carboxymethoxy)phenyl]methyl]-2-methoxyphenyl]methyl]-2-(carboxymethoxy)phenyl]methyl]-2-methoxyphenyl]methyl]phenoxy]acetic acid;2-[4-tert-butyl-2-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-3-[(5-tert-butyl-2-methoxyphenyl)methyl]-2-[2-(hydroxyamino)-2-oxoethoxy]phenyl]methyl]-2-methoxyphenyl]methyl]-2-[2-(hydroxyamino)-2-oxoethoxy]phenyl]methyl]-2-methoxyphenyl]methyl]phenoxy]-N-hydroxyacetamide (PubChem CID 161280336) has the molecular formula C148H195N3O24 and a molecular weight of 2400.18 g/mol. Its IUPAC name is 2-[4-tert-butyl-2-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-3-[(5-tert-butyl-2-methoxyphenyl)methyl]-2-(carboxymethoxy)phenyl]methyl]-2-methoxyphenyl]methyl]-2-(carboxymethoxy)phenyl]methyl]-2-methoxyphenyl]methyl]phenoxy]acetic acid;2-[4-tert-butyl-2-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-3-[(5-tert-butyl-2-methoxyphenyl)methyl]-2-[2-(hydroxyamino)-2-oxoethoxy]phenyl]methyl]-2-methoxyphenyl]methyl]-2-[2-(hydroxyamino)-2-oxoethoxy]phenyl]methyl]-2-methoxyphenyl]methyl]phenoxy]-N-hydroxyacetamide.
| Compound Name | 2-[4-tert-butyl-2-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-3-[(5-tert-butyl-2-methoxyphenyl)methyl]-2-(carboxymethoxy)phenyl]methyl]-2-methoxyphenyl]methyl]-2-(carboxymethoxy)phenyl]methyl]-2-methoxyphenyl]methyl]phenoxy]acetic acid;2-[4-tert-butyl-2-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-3-[(5-tert-butyl-2-methoxyphenyl)methyl]-2-[2-(hydroxyamino)-2-oxoethoxy]phenyl]methyl]-2-methoxyphenyl]methyl]-2-[2-(hydroxyamino)-2-oxoethoxy]phenyl]methyl]-2-methoxyphenyl]methyl]phenoxy]-N-hydroxyacetamide |
|---|---|
| PubChem CID | 161280336 |
| Molecular Formula | C148H195N3O24 |
| Molecular Weight | 2400.18 g/mol |
| Exact Mass | 2398.41 |
| IUPAC Name | 2-[4-tert-butyl-2-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-3-[(5-tert-butyl-2-methoxyphenyl)methyl]-2-(carboxymethoxy)phenyl]methyl]-2-methoxyphenyl]methyl]-2-(carboxymethoxy)phenyl]methyl]-2-methoxyphenyl]methyl]phenoxy]acetic acid;2-[4-tert-butyl-2-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-3-[(5-tert-butyl-2-methoxyphenyl)methyl]-2-[2-(hydroxyamino)-2-oxoethoxy]phenyl]methyl]-2-methoxyphenyl]methyl]-2-[2-(hydroxyamino)-2-oxoethoxy]phenyl]methyl]-2-methoxyphenyl]methyl]phenoxy]-N-hydroxyacetamide |
| SMILES | COc1ccc(C(C)(C)C)cc1Cc1cc(C(C)(C)C)cc(Cc2cc(C(C)(C)C)cc(Cc3cc(C(C)(C)C)cc(Cc4cc(C(C)(C)C)cc(Cc5cc(C(C)(C)C)ccc5OCC(=O)NO)c4OC)c3OCC(=O)NO)c2OC)c1OCC(=O)NO.COc1ccc(C(C)(C)C)cc1Cc1cc(C(C)(C)C)cc(Cc2cc(C(C)(C)C)cc(Cc3cc(C(C)(C)C)cc(Cc4cc(C(C)(C)C)cc(Cc5cc(C(C)(C)C)ccc5OCC(=O)O)c4OC)c3OCC(=O)O)c2OC)c1OCC(=O)O |
| InChI | InChI=1S/C74H99N3O12.C74H96O12/c1-69(2,3)54-22-24-60(84-19)44(31-54)26-50-37-58(73(13,14)15)38-51(67(50)88-42-63(79)76-82)29-48-35-57(72(10,11)12)36-49(66(48)86-21)30-53-40-59(74(16,17)18)39-52(68(53)89-43-64(80)77-83)28-47-34-56(71(7,8)9)33-46(65(47)85-20)27-45-32-55(70(4,5)6)23-25-61(45)87-41-62(78)75-81;1-69(2,3)54-22-24-60(81-19)44(31-54)26-50-37-58(73(13,14)15)38-51(67(50)85-42-63(77)78)29-48-35-57(72(10,11)12)36-49(66(48)83-21)30-53-40-59(74(16,17)18)39-52(68(53)86-43-64(79)80)28-47-34-56(71(7,8)9)33-46(65(47)82-20)27-45-32-55(70(4,5)6)23-25-61(45)84-41-62(75)76/h22-25,31-40,81-83H,26-30,41-43H2,1-21H3,(H,75,78)(H,76,79)(H,77,80);22-25,31-40H,26-30,41-43H2,1-21H3,(H,75,76)(H,77,78)(H,79,80) |
| InChIKey | VEZLFJYGHZVDPO-UHFFFAOYSA-N |
| XLogP | 29.95 |
| TPSA | 370.65 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 44 |
| Heavy Atoms | 175 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2400.18 |
| LogP ≤ 5 | 29.95 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 21 |
| Structural Alerts | {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
|---|