| SpectraBase Spectrum ID |
2ALoSvmIxaC |
| Name |
(2S,3S)-1-[1-oxo-2-[[1-oxo-2-(Phenylmethoxycarbonylamino)ethyl]amino]ethyl]aziridine-2,3-dicarboxylic acid diethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
435.164164769 u |
| Formula |
C20H25N3O8 |
| InChI |
InChI=1S/C20H25N3O8/c1-3-29-18(26)16-17(19(27)30-4-2)23(16)15(25)11-21-14(24)10-22-20(28)31-12-13-8-6-5-7-9-13/h5-9,16-17H,3-4,10-12H2,1-2H3,(H,21,24)(H,22,28)/t16-,17-/m0/s1 |
| InChIKey |
YFYSZCYCEFGVEC-IRXDYDNUSA-N |
| Molecular Weight |
435.433 g/mol |
| SMILES |
[C@]1(N([C@@]1(C(=O)OCC)[H])C(CNC(CNC(=O)OCC=1C=CC=CC1)=O)=O)(C(=O)OCC)[H] |
![(2S,3S)-1-[1-oxo-2-[[1-oxo-2-(phenylmethoxycarbonylamino)ethyl]amino]ethyl]aziridine-2,3-dicarboxylic acid diethyl ester](/api/spectrum/2ALoSvmIxaC/structure.png?h=300&w=458 "(2S,3S)-1-[1-oxo-2-[[1-oxo-2-(phenylmethoxycarbonylamino)ethyl]amino]ethyl]aziridine-2,3-dicarboxylic acid diethyl ester")
