![(3S,4S,7R,10S)-1-Aza-3-pyroglutamoylamino-4-phenyl-10-carboxyamidobicyclo[5.3.0]decane](/api/spectrum/LrWguG4Xf2H/structure.png?h=300&w=458 "(3S,4S,7R,10S)-1-Aza-3-pyroglutamoylamino-4-phenyl-10-carboxyamidobicyclo[5.3.0]decane")
| SpectraBase Compound ID | HeyErTXXJjm |
|---|---|
| InChI | InChI=1S/C21H26N4O4/c22-19(27)16-10-7-13-6-8-14(12-4-2-1-3-5-12)18(21(29)25(13)16)24-20(28)15-9-11-17(26)23-15/h1-5,13-16,18H,6-11H2,(H2,22,27)(H,23,26)(H,24,28)/t13-,14?,15?,16-,18?/m0/s1 |
| InChIKey | BJHALJSPYJKPET-XZZVAGQJSA-N |
| Mol Weight | 398.46 g/mol |
| Molecular Formula | C21H26N4O4 |
| Exact Mass | 398.195405 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LrWguG4Xf2H |
|---|---|
| Name | (3S,4S,7R,10S)-1-Aza-3-pyroglutamoylamino-4-phenyl-10-carboxyamidobicyclo[5.3.0]decane |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H26N4O4 |
| InChI | InChI=1S/C21H26N4O4/c22-19(27)16-10-7-13-6-8-14(12-4-2-1-3-5-12)18(21(29)25(13)16)24-20(28)15-9-11-17(26)23-15/h1-5,13-16,18H,6-11H2,(H2,22,27)(H,23,26)(H,24,28)/t13-,14?,15?,16-,18?/m0/s1 |
| InChIKey | BJHALJSPYJKPET-XZZVAGQJSA-N |
| Molecular Weight | 398.463 g/mol |
| SMILES | NC([C@]1(N2C(C(C(CC[C@]2(CC1)[H])c1ccccc1)NC(C1NC(CC1)=O)=O)=O)[H])=O |
| SPLASH | splash10-0fur-6096000000-d1c5183226d0ca69d483 |
| Source of Spectrum | F-56-10122-30 |
| Wiley ID | 859522 |