C193H347N15O58 — CID 158146591
tetrakis(18-[[(1S)-1-carboxy-7-(2-methoxyethoxy)-4-oxoheptyl]amino]-18-oxooctadecanoic acid);4-hydroxy-3-methyl-N-[3-oxo-3-[[4-oxo-5-[2-[2-(propanoylamino)ethoxy]ethoxy]pentyl]amino]propyl]pent-4-enamide;3-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[4-oxo-5-[2-[2-(propanoylamino)ethoxy]ethoxy]pentyl]propanamide;2-methyl-4-oxo-N-[3-oxo-3-[[4-oxo-5-[2-[2-(propanoylamino)ethoxy]ethoxy]pentyl]amino]propyl]pentanamide;N-[4-oxo-5-[2-[2-(propanoylamino)ethoxy]ethoxy]pentyl]propanamide (PubChem CID 158146591) has the molecular formula C193H347N15O58 and a molecular weight of 3805.95 g/mol. Its IUPAC name is tetrakis(18-[[(1S)-1-carboxy-7-(2-methoxyethoxy)-4-oxoheptyl]amino]-18-oxooctadecanoic acid);4-hydroxy-3-methyl-N-[3-oxo-3-[[4-oxo-5-[2-[2-(propanoylamino)ethoxy]ethoxy]pentyl]amino]propyl]pent-4-enamide;3-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[4-oxo-5-[2-[2-(propanoylamino)ethoxy]ethoxy]pentyl]propanamide;2-methyl-4-oxo-N-[3-oxo-3-[[4-oxo-5-[2-[2-(propanoylamino)ethoxy]ethoxy]pentyl]amino]propyl]pentanamide;N-[4-oxo-5-[2-[2-(propanoylamino)ethoxy]ethoxy]pentyl]propanamide.
| Compound Name | tetrakis(18-[[(1S)-1-carboxy-7-(2-methoxyethoxy)-4-oxoheptyl]amino]-18-oxooctadecanoic acid);4-hydroxy-3-methyl-N-[3-oxo-3-[[4-oxo-5-[2-[2-(propanoylamino)ethoxy]ethoxy]pentyl]amino]propyl]pent-4-enamide;3-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[4-oxo-5-[2-[2-(propanoylamino)ethoxy]ethoxy]pentyl]propanamide;2-methyl-4-oxo-N-[3-oxo-3-[[4-oxo-5-[2-[2-(propanoylamino)ethoxy]ethoxy]pentyl]amino]propyl]pentanamide;N-[4-oxo-5-[2-[2-(propanoylamino)ethoxy]ethoxy]pentyl]propanamide |
|---|---|
| PubChem CID | 158146591 |
| Molecular Formula | C193H347N15O58 |
| Molecular Weight | 3805.95 g/mol |
| Exact Mass | 3803.47 |
| IUPAC Name | tetrakis(18-[[(1S)-1-carboxy-7-(2-methoxyethoxy)-4-oxoheptyl]amino]-18-oxooctadecanoic acid);4-hydroxy-3-methyl-N-[3-oxo-3-[[4-oxo-5-[2-[2-(propanoylamino)ethoxy]ethoxy]pentyl]amino]propyl]pent-4-enamide;3-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[4-oxo-5-[2-[2-(propanoylamino)ethoxy]ethoxy]pentyl]propanamide;2-methyl-4-oxo-N-[3-oxo-3-[[4-oxo-5-[2-[2-(propanoylamino)ethoxy]ethoxy]pentyl]amino]propyl]pentanamide;N-[4-oxo-5-[2-[2-(propanoylamino)ethoxy]ethoxy]pentyl]propanamide |
| SMILES | C=C(O)C(C)CC(=O)NCCC(=O)NCCCC(=O)COCCOCCNC(=O)CC.CCC(=O)NCCCC(=O)COCCOCCNC(=O)CC.CCC(=O)NCCOCCOCC(=O)CCCNC(=O)CCN1C(=O)CC(C)C1=O.CCC(=O)NCCOCCOCC(=O)CCCNC(=O)CCNC(=O)C(C)CC(C)=O.COCCOCCCC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O.COCCOCCCC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O.COCCOCCCC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O.COCCOCCCC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O |
| InChI | InChI=1S/4C29H53NO8.2C21H37N3O7.C20H33N3O7.C15H28N2O5/c4*1-37-23-24-38-22-16-17-25(31)20-21-26(29(35)36)30-27(32)18-14-12-10-8-6-4-2-3-5-7-9-11-13-15-19-28(33)34;1-4-19(27)24-10-11-30-12-13-31-15-18(26)6-5-8-22-20(28)7-9-23-21(29)14-16(2)17(3)25;1-4-19(27)23-10-11-30-12-13-31-15-18(26)6-5-8-22-20(28)7-9-24-21(29)16(2)14-17(3)25;1-3-17(25)22-8-10-29-11-12-30-14-16(24)5-4-7-21-18(26)6-9-23-19(27)13-15(2)20(23)28;1-3-14(19)16-7-5-6-13(18)12-22-11-10-21-9-8-17-15(20)4-2/h4*26H,2-24H2,1H3,(H,30,32)(H,33,34)(H,35,36);16,25H,3-15H2,1-2H3,(H,22,28)(H,23,29)(H,24,27);16H,4-15H2,1-3H3,(H,22,28)(H,23,27)(H,24,29);15H,3-14H2,1-2H3,(H,21,26)(H,22,25);3-12H2,1-2H3,(H,16,19)(H,17,20)/t4*26-;;;;/m0000..../s1 |
| InChIKey | FUPAMJMELRRUIJ-GWAJQEQASA-N |
| XLogP | 23.66 |
| TPSA | 1064.72 Ų |
| H-Bond Donors | 23 |
| H-Bond Acceptors | 50 |
| Rotatable Bonds | 184 |
| Heavy Atoms | 266 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3805.95 |
| LogP ≤ 5 | 23.66 |
| H-Bond Donors ≤ 5 | 23 |
| H-Bond Acceptors ≤ 10 | 50 |
| Structural Alerts | {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'} |
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