![Methyl 2-(cyclohex-2'"'-enyl)-3-{3'-[2''-(cyclohex-2'"-enyl)-2''-methoxycarbonyl]ethyl}ureido>propionate](/api/spectrum/67RcXjVUJGA/structure.png?h=300&w=458 "Methyl 2-(cyclohex-2'\"'-enyl)-3-{3'-[2''-(cyclohex-2'\"-enyl)-2''-methoxycarbonyl]ethyl}ureido>propionate")
| SpectraBase Compound ID | DHAQMjFlEPE |
|---|---|
| InChI | InChI=1S/C21H32N2O5/c1-27-19(24)17(15-9-5-3-6-10-15)13-22-21(26)23-14-18(20(25)28-2)16-11-7-4-8-12-16/h5,7,9,11,15-18H,3-4,6,8,10,12-14H2,1-2H3,(H2,22,23,26)/t15-,16+,17+,18- |
| InChIKey | KIZIADINCHHYEL-FZDBZEDMSA-N |
| Mol Weight | 392.5 g/mol |
| Molecular Formula | C21H32N2O5 |
| Exact Mass | 392.231122 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 67RcXjVUJGA |
|---|---|
| Name | Methyl 2-(cyclohex-2'"'-enyl)-3-{3'-[2''-(cyclohex-2'"-enyl)-2''-methoxycarbonyl]ethyl}ureido>propionate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H32N2O5 |
| InChI | InChI=1S/C21H32N2O5/c1-27-19(24)17(15-9-5-3-6-10-15)13-22-21(26)23-14-18(20(25)28-2)16-11-7-4-8-12-16/h5,7,9,11,15-18H,3-4,6,8,10,12-14H2,1-2H3,(H2,22,23,26)/t15-,16+,17+,18- |
| InChIKey | KIZIADINCHHYEL-FZDBZEDMSA-N |
| Molecular Weight | 392.496 g/mol |
| SMILES | N(C(NC[C@](C(=O)OC)([C@@]1(C=CCCC1)[H])[H])=O)C[C@@](C(=O)OC)([C@]1(C=CCCC1)[H])[H] |
| SPLASH | splash10-0006-1109000000-e2e988ec8195b17eed67 |
| Source of Spectrum | U1-1999-358-62 |
| Synonyms | Methyl (S)-2-((R)-cyclohex-2''''-enyl)-3-{3'-[(R)-2''-(cyclohex-2'''-(S)-enyl)-2''-methoxycarbonyl]ethyl}ureido>propionate Methyl 2-(cyclohex-2''''-enyl)-3-{3'-[2''-(cyclohex-2'''-enyl)-2''-methoxycarbonyl]ethyl}ureido>propionate |
| Wiley ID | 752495 |