![(2R,3R/2S,3S)-1-[N-(TERT.-BUTOXYCARBONYL)-(S)-PHENYLALANYL-(S)-ALANYL]-3-ETHOXYCARBONYL-AZIRIDINE-2-CARBOXYLIC-ACID](/api/spectrum/8IVmphcelGW/structure.png?h=300&w=458 "(2R,3R/2S,3S)-1-[N-(TERT.-BUTOXYCARBONYL)-(S)-PHENYLALANYL-(S)-ALANYL]-3-ETHOXYCARBONYL-AZIRIDINE-2-CARBOXYLIC-ACID")
| SpectraBase Compound ID | 98qDZzAYi03 |
|---|---|
| InChI | InChI=1S/2C23H31N3O8/c2*1-6-33-21(31)17-16(20(29)30)26(17)19(28)13(2)24-18(27)15(12-14-10-8-7-9-11-14)25-22(32)34-23(3,4)5/h2*7-11,13,15-17H,6,12H2,1-5H3,(H,24,27)(H,25,32)(H,29,30)/t2*13?,15?,16-,17-,26?/m10/s1 |
| InChIKey | PICFVNAEDGEOAA-WUEFPVFHSA-N |
| Mol Weight | 955.03 g/mol |
| Molecular Formula | C46H62N6O16 |
| Exact Mass | 954.42223 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8IVmphcelGW |
|---|---|
| Name | (2R,3R/2S,3S)-1-[N-(TERT.-BUTOXYCARBONYL)-(S)-PHENYLALANYL-(S)-ALANYL]-3-ETHOXYCARBONYL-AZIRIDINE-2-CARBOXYLIC-ACID |
| Compound Number | 22A+B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H62N6O16 |
| InChI | InChI=1S/2C23H31N3O8/c2*1-6-33-21(31)17-16(20(29)30)26(17)19(28)13(2)24-18(27)15(12-14-10-8-7-9-11-14)25-22(32)34-23(3,4)5/h2*7-11,13,15-17H,6,12H2,1-5H3,(H,24,27)(H,25,32)(H,29,30)/t2*13?,15?,16-,17-,26?/m10/s1 |
| InChIKey | PICFVNAEDGEOAA-WUEFPVFHSA-N |
| Literature Reference Author | T.SCHIRMEISTER,M.PERIC |
| Literature Reference Citation | BIOORG.MED.CHEM.,8,1281(2000) |
| Literature Reference DOI | 10.1016/S0968-0896(00)00058-4 |
| Molecular Weight | 955.029 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN20244 |