| SpectraBase Spectrum ID |
CmxCsjUAz36 |
| Name |
4-[3-[(2-Amino-3-ethoxy-3-keto-propyl)thio]-2,5-diketo-pyrrolidino]benzoic acid methyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
380.104207540 u |
| Formula |
C17H20N2O6S |
| InChI |
InChI=1S/C17H20N2O6S/c1-3-25-17(23)12(18)9-26-13-8-14(20)19(15(13)21)11-6-4-10(5-7-11)16(22)24-2/h4-7,12-13H,3,8-9,18H2,1-2H3 |
| InChIKey |
XSBGTWOLYHUERP-UHFFFAOYSA-N |
| Molecular Weight |
380.415 g/mol |
| SMILES |
CCOC(C(CSC1C(N(C(C1)=O)C=1C=CC(C(=O)OC)=CC1)=O)N)=O |
![4-[3-[(2-Amino-3-ethoxy-3-keto-propyl)thio]-2,5-diketo-pyrrolidino]benzoic acid methyl ester](/api/spectrum/CmxCsjUAz36/structure.png?h=300&w=458 "4-[3-[(2-Amino-3-ethoxy-3-keto-propyl)thio]-2,5-diketo-pyrrolidino]benzoic acid methyl ester")
