| SpectraBase Compound ID | e3mdBC8o2f |
|---|---|
| InChI | InChI=1S/C25H34N4O6S/c1-15(2)26-21(31)17(12-16-10-8-7-9-11-16)27-22(32)18(28-24(34)35-25(3,4)5)14-36-19-13-20(30)29(6)23(19)33/h7-11,13,15,17-18H,12,14H2,1-6H3,(H,26,31)(H,27,32)(H,28,34)/t17-,18-/m0/s1 |
| InChIKey | YCCSPWPPMYIINQ-ROUUACIJSA-N |
| Mol Weight | 518.6 g/mol |
| Molecular Formula | C25H34N4O6S |
| Exact Mass | 518.219906 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LJinGNPQr0z |
|---|---|
| Name | tert-butyl (R)-1-((S)-1-(isopropylamino)-1-oxo-3-phenylpropan-2-ylamino)-3-(1-methyl-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-ylthio)-1-oxopropan-2-ylcarbamate |
| Appearance | Pale brown solid |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H34N4O6S |
| InChI | InChI=1S/C25H34N4O6S/c1-15(2)26-21(31)17(12-16-10-8-7-9-11-16)27-22(32)18(28-24(34)35-25(3,4)5)14-36-19-13-20(30)29(6)23(19)33/h7-11,13,15,17-18H,12,14H2,1-6H3,(H,26,31)(H,27,32)(H,28,34)/t17-,18-/m0/s1 |
| InChIKey | YCCSPWPPMYIINQ-ROUUACIJSA-N |
| Instrument Name | LRMS |
| Ionization Type | EI |
| Molecular Weight | 518.629 g/mol |
| Reported Formula | C25H34N4O6S |
| SMILES | N([C@](C(N[C@](C(NC(C)C)=O)(Cc1ccccc1)[H])=O)(CSC=1C(N(C(C1)=O)C)=O)[H])C(OC(C)(C)C)=O |
| SPLASH | splash10-001i-9320100000-916a9421935e242b07e4 |
| Source of Spectrum | WO2011018611A1 |
| Wiley ID | 1861909 |