C109H141F2N11O20 — CID 160724646
(2R,5S)-6-(4-fluorophenyl)-5-methyl-2-(2-methylpropyl)-4-oxo-N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]hexanamide;N-[(2S,5R)-1-(4-fluorophenyl)-7-methyl-3-oxo-5-[[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]octan-2-yl]pyrazine-2-carboxamide;5-methyl-N-[(2S,5R)-7-methyl-1-naphthalen-1-yl-3-oxo-5-[[1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]octan-2-yl]-1,2-oxazole-3-carboxamide;(2R)-4-methyl-2-[2-(5-methyl-1,2-oxazol-3-yl)-2-oxoethyl]-N-[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]pentanamide (PubChem CID 160724646) has the molecular formula C109H141F2N11O20 and a molecular weight of 1963.38 g/mol. Its IUPAC name is (2R,5S)-6-(4-fluorophenyl)-5-methyl-2-(2-methylpropyl)-4-oxo-N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]hexanamide;N-[(2S,5R)-1-(4-fluorophenyl)-7-methyl-3-oxo-5-[[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]octan-2-yl]pyrazine-2-carboxamide;5-methyl-N-[(2S,5R)-7-methyl-1-naphthalen-1-yl-3-oxo-5-[[1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]octan-2-yl]-1,2-oxazole-3-carboxamide;(2R)-4-methyl-2-[2-(5-methyl-1,2-oxazol-3-yl)-2-oxoethyl]-N-[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]pentanamide.
| Compound Name | (2R,5S)-6-(4-fluorophenyl)-5-methyl-2-(2-methylpropyl)-4-oxo-N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]hexanamide;N-[(2S,5R)-1-(4-fluorophenyl)-7-methyl-3-oxo-5-[[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]octan-2-yl]pyrazine-2-carboxamide;5-methyl-N-[(2S,5R)-7-methyl-1-naphthalen-1-yl-3-oxo-5-[[1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]octan-2-yl]-1,2-oxazole-3-carboxamide;(2R)-4-methyl-2-[2-(5-methyl-1,2-oxazol-3-yl)-2-oxoethyl]-N-[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]pentanamide |
|---|---|
| PubChem CID | 160724646 |
| Molecular Formula | C109H141F2N11O20 |
| Molecular Weight | 1963.38 g/mol |
| Exact Mass | 1962.03 |
| IUPAC Name | (2R,5S)-6-(4-fluorophenyl)-5-methyl-2-(2-methylpropyl)-4-oxo-N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]hexanamide;N-[(2S,5R)-1-(4-fluorophenyl)-7-methyl-3-oxo-5-[[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]octan-2-yl]pyrazine-2-carboxamide;5-methyl-N-[(2S,5R)-7-methyl-1-naphthalen-1-yl-3-oxo-5-[[1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]octan-2-yl]-1,2-oxazole-3-carboxamide;(2R)-4-methyl-2-[2-(5-methyl-1,2-oxazol-3-yl)-2-oxoethyl]-N-[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]pentanamide |
| SMILES | CC(C)C[C@H](CC(=O)[C@@H](C)Cc1ccc(F)cc1)C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O.CC(C)C[C@H](CC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1cnccn1)C(=O)N[C@H](C=O)C[C@@H]1CCCCC1=O.Cc1cc(C(=O)C[C@@H](CC(C)C)C(=O)N[C@H](C=O)C[C@@H]2CCCCC2=O)no1.Cc1cc(C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)C[C@@H](CC(C)C)C(=O)NC(C=O)C[C@@H]2CCCCC2=O)no1 |
| InChI | InChI=1S/C34H41N3O6.C30H37FN4O5.C24H33FN2O4.C21H30N2O5/c1-21(2)15-26(33(41)35-27(20-38)17-25-10-5-7-14-31(25)39)19-32(40)29(36-34(42)30-16-22(3)43-37-30)18-24-12-8-11-23-9-4-6-13-28(23)24;1-19(2)13-22(29(39)34-24(18-36)15-21-5-3-4-6-27(21)37)16-28(38)25(14-20-7-9-23(31)10-8-20)35-30(40)26-17-32-11-12-33-26;1-15(2)10-19(13-22(29)16(3)11-17-4-6-20(25)7-5-17)24(31)27-21(14-28)12-18-8-9-26-23(18)30;1-13(2)8-16(11-20(26)18-9-14(3)28-23-18)21(27)22-17(12-24)10-15-6-4-5-7-19(15)25/h4,6,8-9,11-13,16,20-21,25-27,29H,5,7,10,14-15,17-19H2,1-3H3,(H,35,41)(H,36,42);7-12,17-19,21-22,24-25H,3-6,13-16H2,1-2H3,(H,34,39)(H,35,40);4-7,14-16,18-19,21H,8-13H2,1-3H3,(H,26,30)(H,27,31);9,12-13,15-17H,4-8,10-11H2,1-3H3,(H,22,27)/t25-,26+,27?,29-;21-,22+,24-,25-;16-,18-,19+,21-;15-,16+,17-/m0000/s1 |
| InChIKey | RTNWPJPCMPEHGL-NOXPZLBESA-N |
| XLogP | 14.23 |
| TPSA | 469.31 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 50 |
| Heavy Atoms | 142 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1963.38 |
| LogP ≤ 5 | 14.23 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 24 |
| Structural Alerts | {'alert_name': 'aldehyde', 'substructure': 'N/A'} |
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