| SpectraBase Spectrum ID |
57QcF8E6wMV |
| Name |
N-(N-[(2S)-1-(2-Chloroacetyl)prolyl]anilino)carbamic acid tert-butyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
381.145533961 u |
| Formula |
C18H24ClN3O4 |
| InChI |
InChI=1S/C18H24ClN3O4/c1-18(2,3)26-17(25)20-22(13-8-5-4-6-9-13)16(24)14-10-7-11-21(14)15(23)12-19/h4-6,8-9,14H,7,10-12H2,1-3H3,(H,20,25)/t14-/m0/s1 |
| InChIKey |
MZBDLTNLAQHCCI-AWEZNQCLSA-N |
| Molecular Weight |
381.860 g/mol |
| SMILES |
C(N(NC(OC(C)(C)C)=O)C1=CC=CC=C1)([C@]1(N(C(=O)CCl)CCC1)[H])=O |
![N-(N-[(2S)-1-(2-chloroacetyl)prolyl]anilino)carbamic acid tert-butyl ester](/api/spectrum/57QcF8E6wMV/structure.png?h=300&w=458 "N-(N-[(2S)-1-(2-chloroacetyl)prolyl]anilino)carbamic acid tert-butyl ester")
