![BETA-PENTAFLUOROPHENYL-(2S)-N-(TERT.-BUTOXYCARBONYL)-PHENYLALANYL-BETA-ALANYL-[ALPHA-METHYL-(2R)-GLUTAMYL]-GAMMA-SARCOSYL-[ALPHA-METHYL-(2R)-ASPAR](/api/spectrum/LK4qOhFUjfQ/structure.png?h=300&w=458 "BETA-PENTAFLUOROPHENYL-(2S)-N-(TERT.-BUTOXYCARBONYL)-PHENYLALANYL-BETA-ALANYL-[ALPHA-METHYL-(2R)-GLUTAMYL]-GAMMA-SARCOSYL-[ALPHA-METHYL-(2R)-ASPAR")
| SpectraBase Compound ID | 4yahOkP1RAr |
|---|---|
| InChI | InChI=1S/C37H44F5N5O12/c1-37(2,3)59-36(55)46-21(16-19-10-8-7-9-11-19)33(52)43-15-14-23(48)44-20(34(53)56-5)12-13-25(50)47(4)18-24(49)45-22(35(54)57-6)17-26(51)58-32-30(41)28(39)27(38)29(40)31(32)42/h7-11,20-22H,12-18H2,1-6H3,(H,43,52)(H,44,48)(H,45,49)(H,46,55)/t20-,21+,22+/m1/s1 |
| InChIKey | KFHKKKKPZLCTCP-FSSWDIPSSA-N |
| Mol Weight | 845.8 g/mol |
| Molecular Formula | C37H44F5N5O12 |
| Exact Mass | 845.290663 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LK4qOhFUjfQ |
|---|---|
| Name | BETA-PENTAFLUOROPHENYL-(2S)-N-(TERT.-BUTOXYCARBONYL)-PHENYLALANYL-BETA-ALANYL-[ALPHA-METHYL-(2R)-GLUTAMYL]-GAMMA-SARCOSYL-[ALPHA-METHYL-(2R)-ASPAR |
| Compound Number | 44 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H44F5N5O12 |
| InChI | InChI=1S/C37H44F5N5O12/c1-37(2,3)59-36(55)46-21(16-19-10-8-7-9-11-19)33(52)43-15-14-23(48)44-20(34(53)56-5)12-13-25(50)47(4)18-24(49)45-22(35(54)57-6)17-26(51)58-32-30(41)28(39)27(38)29(40)31(32)42/h7-11,20-22H,12-18H2,1-6H3,(H,43,52)(H,44,48)(H,45,49)(H,46,55)/t20-,21+,22+/m1/s1 |
| InChIKey | KFHKKKKPZLCTCP-FSSWDIPSSA-N |
| Literature Reference Author | A.P.MEHROTRA,K.L.WEBSTER,D.GANI |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-1,2495(1997) |
| Literature Reference DOI | 10.1039/a702407j |
| Molecular Weight | 845.775 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCP9238 |