| SpectraBase Spectrum ID |
3KoyppRG7Md |
| Name |
Benzyl 2(S)-[(tert-butoxycarbonyl)amino]-4-oxo-5-[(phthaloyl)amino]pentanoate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
466.174001178 u |
| Formula |
C25H26N2O7 |
| InChI |
InChI=1S/C25H26N2O7/c1-25(2,3)34-24(32)26-20(23(31)33-15-16-9-5-4-6-10-16)13-17(28)14-27-21(29)18-11-7-8-12-19(18)22(27)30/h4-12,20H,13-15H2,1-3H3,(H,26,32)/t20-/m0/s1 |
| InChIKey |
MOGRYYLUBSHRIW-FQEVSTJZSA-N |
| Molecular Weight |
466.490 g/mol |
| SMILES |
C1(N(C(C=2C=CC=CC12)=O)CC(C[C@](NC(OC(C)(C)C)=O)(C(OCC=1C=CC=CC1)=O)[H])=O)=O |
![Benzyl 2(S)-[(tert-butoxycarbonyl)amino]-4-oxo-5-[(phthaloyl)amino]pentanoate](/api/spectrum/3KoyppRG7Md/structure.png?h=300&w=458 "Benzyl 2(S)-[(tert-butoxycarbonyl)amino]-4-oxo-5-[(phthaloyl)amino]pentanoate")
