| SpectraBase Spectrum ID |
D85q02yJa99 |
| Name |
#-(4S)-31-(S)-Mosher-amide;(4S,2'S,2''S)-1,3-di-N-benzyl-4-[2'-methoxycarbonyl-2'-(3'',3'',3''-trifluoro-2''-methoxy-2''-phenyl-propionylamino)-ethyl]-6-methyl-2-oxo |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
681.266185058 u |
| Formula |
C36H38F3N3O7 |
| InChI |
InChI=1S/C36H38F3N3O7/c1-5-49-32(44)30-24(2)41(22-25-15-9-6-10-16-25)34(46)42(23-26-17-11-7-12-18-26)29(30)21-28(31(43)47-3)40-33(45)35(48-4,36(37,38)39)27-19-13-8-14-20-27/h6-20,28-29H,5,21-23H2,1-4H3,(H,40,45)/t28-,29-,35-/m0/s1 |
| InChIKey |
GUFPWNIZLGAPJK-RLSUVSHZSA-N |
| Molecular Weight |
681.709 g/mol |
| SMILES |
C1(=O)N([C@](C(=C(N1CC1=CC=CC=C1)C)C(=O)OCC)(C[C@@](C(=O)OC)(NC(=O)[C@@](C1=CC=CC=C1)(C(F)(F)F)OC)[H])[H])CC1=CC=CC=C1 |
![#-(4S)-31-(S)-Mosher-amide;(4S,2'S,2''S)-1,3-di-N-benzyl-4-[2'-methoxycarbonyl-2'-(3'',3'',3''-trifluoro-2''-methoxy-2''-phenyl-propionylamino)-ethyl]-6-methyl-2-oxo](/api/spectrum/D85q02yJa99/structure.png?h=300&w=458 "#-(4S)-31-(S)-Mosher-amide;(4S,2'S,2''S)-1,3-di-N-benzyl-4-[2'-methoxycarbonyl-2'-(3'',3'',3''-trifluoro-2''-methoxy-2''-phenyl-propionylamino)-ethyl]-6-methyl-2-oxo")
