| SpectraBase Spectrum ID |
DT55dB8pNI8 |
| Name |
N-{[(2S)-2,5-Dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-yl]carbonyl}-D-phenylalanine benzyl ester |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H26N2O5 |
| InChI |
InChI=1S/C27H26N2O5/c1-18-10-9-15-22-23(18)29-26(32)27(2,34-22)25(31)28-21(16-19-11-5-3-6-12-19)24(30)33-17-20-13-7-4-8-14-20/h3-15,21H,16-17H2,1-2H3,(H,28,31)(H,29,32)/t21-,27+/m1/s1 |
| InChIKey |
ZHTHDAOZXWLQIE-ZBLYBZFDSA-N |
| Molecular Weight |
458.514 g/mol |
| SMILES |
N1c2c(O[C@@](C(N[C@@](C(OCc3ccccc3)=O)(Cc3ccccc3)[H])=O)(C1=O)C)cccc2C |
| SPLASH |
splash10-004i-0900100000-91a7a49133bb6c8bf2b9 |
| Source of Spectrum |
QC-10-164-7 |
| Synonyms |
benzyl (2R)-2-({[(2S)-2,5-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl]carbonyl}amino)-3-phenylpropanoate |
| Wiley ID |
871031 |
![N-{[(2S)-2,5-Dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-yl]carbonyl}-D-phenylalanine benzyl ester](/api/spectrum/DT55dB8pNI8/structure.png?h=300&w=458 "N-{[(2S)-2,5-Dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-yl]carbonyl}-D-phenylalanine benzyl ester")
