![Methyl 2-([2-[(2-adamantylcarbonyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino)-4-methylpentanoate](/api/spectrum/7hUYuPt560W/structure.png?h=300&w=458 "Methyl 2-([2-[(2-adamantylcarbonyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino)-4-methylpentanoate")
| SpectraBase Compound ID | 4t2PKOG5yq9 |
|---|---|
| InChI | InChI=1S/C24H36N4O4/c1-13(2)4-20(24(31)32-3)28-22(29)19(10-18-11-25-12-26-18)27-23(30)21-16-6-14-5-15(8-16)9-17(21)7-14/h11-17,19-21H,4-10H2,1-3H3,(H,25,26)(H,27,30)(H,28,29)/t14-,15+,16-,17+,19?,20?,21- |
| InChIKey | PVRYTARWQSAKHJ-BLBSLHFKSA-N |
| Mol Weight | 444.6 g/mol |
| Molecular Formula | C24H36N4O4 |
| Exact Mass | 444.273656 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7hUYuPt560W |
|---|---|
| Name | Methyl 2-([2-[(2-adamantylcarbonyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino)-4-methylpentanoate |
| CAS Registry Number | 55401-52-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C24H36N4O4 |
| InChI | InChI=1S/C24H36N4O4/c1-13(2)4-20(24(31)32-3)28-22(29)19(10-18-11-25-12-26-18)27-23(30)21-16-6-14-5-15(8-16)9-17(21)7-14/h11-17,19-21H,4-10H2,1-3H3,(H,25,26)(H,27,30)(H,28,29)/t14-,15+,16-,17+,19?,20?,21- |
| InChIKey | PVRYTARWQSAKHJ-BLBSLHFKSA-N |
| Molecular Weight | 444.576 g/mol |
| SMILES | N(C(CC(C)C)C(=O)OC)C(C(Cc1cnc[nH]1)NC(C1[C@]2(C[C@@]3(C[C@](C2)(C[C@]1(C3)[H])[H])[H])[H])=O)=O |
| SPLASH | splash10-000i-8940100000-2a7a23c84c024effd95e |
| Source of Spectrum | O-3-801-10 |
| Synonyms | 2-[[2-(adamantane-2-carbonylamino)-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methyl-valeric acid methyl ester 2-[[2-[[2-adamantyl(oxo)methyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-4-methylpentanoic acid methyl ester Methyl 2-[[2-(adamantane-2-carbonylamino)-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methyl-pentanoate Methyl 2-[[2-(adamantane-2-carbonylamino)-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoate |
| Wiley ID | 60318 |