![(2R)-4-methyl-2-(3-methylbutanoylamino)oxy-N-[4-[[(2R)-4-methyl-2-(3-methylbutanoylamino)oxy-pentanoyl]amino]phenyl]pentanamide](/api/spectrum/7jxHNbB1Qrc/structure.png?h=300&w=458 "(2R)-4-methyl-2-(3-methylbutanoylamino)oxy-N-[4-[[(2R)-4-methyl-2-(3-methylbutanoylamino)oxy-pentanoyl]amino]phenyl]pentanamide")
| SpectraBase Compound ID | BXDPYVe3hpi |
|---|---|
| InChI | InChI=1S/C28H46N4O6/c1-17(2)13-23(37-31-25(33)15-19(5)6)27(35)29-21-9-11-22(12-10-21)30-28(36)24(14-18(3)4)38-32-26(34)16-20(7)8/h9-12,17-20,23-24H,13-16H2,1-8H3,(H,29,35)(H,30,36)(H,31,33)(H,32,34)/t23-,24-/m1/s1 |
| InChIKey | SJWXORGLOPDPTE-DNQXCXABSA-N |
| Mol Weight | 534.7 g/mol |
| Molecular Formula | C28H46N4O6 |
| Exact Mass | 534.341735 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7jxHNbB1Qrc |
|---|---|
| Name | (2R)-4-methyl-2-(3-methylbutanoylamino)oxy-N-[4-[[(2R)-4-methyl-2-(3-methylbutanoylamino)oxy-pentanoyl]amino]phenyl]pentanamide |
| Appearance | Oil |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H46N4O6 |
| InChI | InChI=1S/C28H46N4O6/c1-17(2)13-23(37-31-25(33)15-19(5)6)27(35)29-21-9-11-22(12-10-21)30-28(36)24(14-18(3)4)38-32-26(34)16-20(7)8/h9-12,17-20,23-24H,13-16H2,1-8H3,(H,29,35)(H,30,36)(H,31,33)(H,32,34)/t23-,24-/m1/s1 |
| InChIKey | SJWXORGLOPDPTE-DNQXCXABSA-N |
| Instrument Name | LRMS |
| Ionization Type | EI |
| Molecular Weight | 534.698 g/mol |
| Optical Rotation | [a]D20 = +236.2 (c = 1.00, DMSO) |
| Reported Formula | C28H46N4O6 |
| SMILES | N(c1ccc(cc1)NC([C@](ONC(=O)CC(C)C)(CC(C)C)[H])=O)C([C@](ONC(=O)CC(C)C)(CC(C)C)[H])=O |
| SPLASH | splash10-0abi-0970040000-82c7bb1e413a48c8d8fb |
| Source of Spectrum | EP2231137A1 |
| Wiley ID | 1843938 |