C150H260N24O34 — CID 159826683
N-[5-[acetyl(hydroxy)amino]pentyl]-N'-[5-[[4-[5-[1-(1-adamantyl)ethenylamino]pentyl-hydroxyamino]-4-oxobutanoyl]amino]pentyl]-N'-hydroxybutanediamide;N-[5-[acetyl(hydroxy)amino]pentyl]-N'-[5-[[4-[5-[3-(1-adamantyl)prop-1-en-2-ylamino]pentyl-hydroxyamino]-4-oxobutanoyl]amino]pentyl]-N'-hydroxybutanediamide;N-[5-[acetyl(hydroxy)amino]pentyl]-N'-[5-[[4-[5-[(3,5-dimethyladamantane-1-carbonyl)amino]pentyl-hydroxyamino]-4-oxobutanoyl]amino]pentyl]-N'-hydroxybutanediamide;N-[5-[acetyl(hydroxy)amino]pentyl]-N'-hydroxy-N'-[5-[[4-[hydroxy-[5-[(3-methyladamantane-1-carbonyl)amino]pentyl]amino]-4-oxobutanoyl]amino]pentyl]butanediamide (PubChem CID 159826683) has the molecular formula C150H260N24O34 and a molecular weight of 2943.86 g/mol. Its IUPAC name is N-[5-[acetyl(hydroxy)amino]pentyl]-N'-[5-[[4-[5-[1-(1-adamantyl)ethenylamino]pentyl-hydroxyamino]-4-oxobutanoyl]amino]pentyl]-N'-hydroxybutanediamide;N-[5-[acetyl(hydroxy)amino]pentyl]-N'-[5-[[4-[5-[3-(1-adamantyl)prop-1-en-2-ylamino]pentyl-hydroxyamino]-4-oxobutanoyl]amino]pentyl]-N'-hydroxybutanediamide;N-[5-[acetyl(hydroxy)amino]pentyl]-N'-[5-[[4-[5-[(3,5-dimethyladamantane-1-carbonyl)amino]pentyl-hydroxyamino]-4-oxobutanoyl]amino]pentyl]-N'-hydroxybutanediamide;N-[5-[acetyl(hydroxy)amino]pentyl]-N'-hydroxy-N'-[5-[[4-[hydroxy-[5-[(3-methyladamantane-1-carbonyl)amino]pentyl]amino]-4-oxobutanoyl]amino]pentyl]butanediamide.
| Compound Name | N-[5-[acetyl(hydroxy)amino]pentyl]-N'-[5-[[4-[5-[1-(1-adamantyl)ethenylamino]pentyl-hydroxyamino]-4-oxobutanoyl]amino]pentyl]-N'-hydroxybutanediamide;N-[5-[acetyl(hydroxy)amino]pentyl]-N'-[5-[[4-[5-[3-(1-adamantyl)prop-1-en-2-ylamino]pentyl-hydroxyamino]-4-oxobutanoyl]amino]pentyl]-N'-hydroxybutanediamide;N-[5-[acetyl(hydroxy)amino]pentyl]-N'-[5-[[4-[5-[(3,5-dimethyladamantane-1-carbonyl)amino]pentyl-hydroxyamino]-4-oxobutanoyl]amino]pentyl]-N'-hydroxybutanediamide;N-[5-[acetyl(hydroxy)amino]pentyl]-N'-hydroxy-N'-[5-[[4-[hydroxy-[5-[(3-methyladamantane-1-carbonyl)amino]pentyl]amino]-4-oxobutanoyl]amino]pentyl]butanediamide |
|---|---|
| PubChem CID | 159826683 |
| Molecular Formula | C150H260N24O34 |
| Molecular Weight | 2943.86 g/mol |
| Exact Mass | 2941.94 |
| IUPAC Name | N-[5-[acetyl(hydroxy)amino]pentyl]-N'-[5-[[4-[5-[1-(1-adamantyl)ethenylamino]pentyl-hydroxyamino]-4-oxobutanoyl]amino]pentyl]-N'-hydroxybutanediamide;N-[5-[acetyl(hydroxy)amino]pentyl]-N'-[5-[[4-[5-[3-(1-adamantyl)prop-1-en-2-ylamino]pentyl-hydroxyamino]-4-oxobutanoyl]amino]pentyl]-N'-hydroxybutanediamide;N-[5-[acetyl(hydroxy)amino]pentyl]-N'-[5-[[4-[5-[(3,5-dimethyladamantane-1-carbonyl)amino]pentyl-hydroxyamino]-4-oxobutanoyl]amino]pentyl]-N'-hydroxybutanediamide;N-[5-[acetyl(hydroxy)amino]pentyl]-N'-hydroxy-N'-[5-[[4-[hydroxy-[5-[(3-methyladamantane-1-carbonyl)amino]pentyl]amino]-4-oxobutanoyl]amino]pentyl]butanediamide |
| SMILES | C=C(CC12CC3CC(CC(C3)C1)C2)NCCCCCN(O)C(=O)CCC(=O)NCCCCCN(O)C(=O)CCC(=O)NCCCCCN(O)C(C)=O.C=C(NCCCCCN(O)C(=O)CCC(=O)NCCCCCN(O)C(=O)CCC(=O)NCCCCCN(O)C(C)=O)C12CC3CC(CC(C3)C1)C2.CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)C12CC3CC(C)(CC(C)(C3)C1)C2.CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)C12CC3CC(CC(C)(C3)C1)C2 |
| InChI | InChI=1S/C38H66N6O9.C38H66N6O8.C37H64N6O9.C37H64N6O8/c1-29(45)42(51)20-10-4-7-17-39-31(46)13-15-33(48)43(52)21-11-5-8-18-40-32(47)14-16-34(49)44(53)22-12-6-9-19-41-35(50)38-25-30-23-36(2,27-38)26-37(3,24-30)28-38;1-29(25-38-26-31-22-32(27-38)24-33(23-31)28-38)39-16-6-3-10-20-43(51)36(48)14-13-35(47)41-18-8-5-11-21-44(52)37(49)15-12-34(46)40-17-7-4-9-19-42(50)30(2)45;1-28(44)41(50)19-9-3-6-16-38-31(45)12-14-33(47)42(51)20-10-4-7-17-39-32(46)13-15-34(48)43(52)21-11-5-8-18-40-35(49)37-25-29-22-30(26-37)24-36(2,23-29)27-37;1-28(37-25-30-22-31(26-37)24-32(23-30)27-37)38-16-6-3-10-20-42(50)35(47)14-13-34(46)40-18-8-5-11-21-43(51)36(48)15-12-33(45)39-17-7-4-9-19-41(49)29(2)44/h30,51-53H,4-28H2,1-3H3,(H,39,46)(H,40,47)(H,41,50);31-33,39,50-52H,1,3-28H2,2H3,(H,40,46)(H,41,47);29-30,50-52H,3-27H2,1-2H3,(H,38,45)(H,39,46)(H,40,49);30-32,38,49-51H,1,3-27H2,2H3,(H,39,45)(H,40,46) |
| InChIKey | NMXRYFKYPSUZFH-UHFFFAOYSA-N |
| XLogP | 16.72 |
| TPSA | 801.54 Ų |
| H-Bond Donors | 24 |
| H-Bond Acceptors | 36 |
| Rotatable Bonds | 103 |
| Heavy Atoms | 208 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2943.86 |
| LogP ≤ 5 | 16.72 |
| H-Bond Donors ≤ 5 | 24 |
| H-Bond Acceptors ≤ 10 | 36 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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