| SpectraBase Spectrum ID |
ElCJkxrGIBY |
| Name |
2-[(3R)-2-Keto-3-[(3R)-2-keto-3-(2-keto-2-methylamino-ethyl)-1-methyl-indolin-3-yl]-1-methyl-indolin-3-yl]-N-methyl-acetamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
434.195405329 u |
| Formula |
C24H26N4O4 |
| InChI |
InChI=1S/C24H26N4O4/c1-25-19(29)13-23(15-9-5-7-11-17(15)27(3)21(23)31)24(14-20(30)26-2)16-10-6-8-12-18(16)28(4)22(24)32/h5-12H,13-14H2,1-4H3,(H,25,29)(H,26,30)/t23-,24-/m0/s1 |
| InChIKey |
GCZGCXNUEMMVLJ-ZEQRLZLVSA-N |
| Molecular Weight |
434.496 g/mol |
| SMILES |
C=12N(C([C@](C2=CC=CC1)([C@]1(C2=CC=CC=C2N(C)C1=O)CC(=O)NC)CC(=O)NC)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.821379 |
![2-[(3R)-2-keto-3-[(3R)-2-keto-3-(2-keto-2-methylamino-ethyl)-1-methyl-indolin-3-yl]-1-methyl-indolin-3-yl]-N-methyl-acetamide](/api/spectrum/ElCJkxrGIBY/structure.png?h=300&w=458 "2-[(3R)-2-keto-3-[(3R)-2-keto-3-(2-keto-2-methylamino-ethyl)-1-methyl-indolin-3-yl]-1-methyl-indolin-3-yl]-N-methyl-acetamide")
