SpectraBase Compound ID | IKYqJ0YQHKY |
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InChI | InChI=1S/C26H27F3N2O7/c1-36-23(34)25(26(27,28)29,30-24(35)38-17-19-11-6-3-7-12-19)15-21(32)31-14-8-13-20(31)22(33)37-16-18-9-4-2-5-10-18/h2-7,9-12,20H,8,13-17H2,1H3,(H,30,35)/t20-,25-/m0/s1 |
InChIKey | IGNFHUZBFVANOS-CPJSRVTESA-N |
Mol Weight | 536.5 g/mol |
Molecular Formula | C26H27F3N2O7 |
Exact Mass | 536.177036 g/mol |
SpectraBase Spectrum ID | HL8zb0J2kFb |
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Name | Benzyl N-benzyloxycarbonyl-S-2-trifluoromethyl-.beta.-aspartyl-(alpha.methylester)-S-prolinate isomer |
Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C26H27F3N2O7 |
InChI | InChI=1S/C26H27F3N2O7/c1-36-23(34)25(26(27,28)29,30-24(35)38-17-19-11-6-3-7-12-19)15-21(32)31-14-8-13-20(31)22(33)37-16-18-9-4-2-5-10-18/h2-7,9-12,20H,8,13-17H2,1H3,(H,30,35)/t20-,25-/m0/s1 |
InChIKey | IGNFHUZBFVANOS-CPJSRVTESA-N |
Molecular Weight | 536.504 g/mol |
SMILES | N([C@](CC(N1[C@](C(OCc2ccccc2)=O)(CCC1)[H])=O)(C(F)(F)F)C(=O)OC)C(=O)OCc1ccccc1 |
SPLASH | splash10-006x-9000000000-febeed9952fb0f420112 |
Source of Spectrum | KC-1992-273-19 |
Wiley ID | 776001 |