SpectraBase Compound ID | 1wL2FkVGXMC |
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InChI | InChI=1S/C22H24N4O4/c1-14(25-22(29)30-13-15-7-3-2-4-8-15)21(28)26-19(20(23)27)11-16-12-24-18-10-6-5-9-17(16)18/h2-10,12,14,19,24H,11,13H2,1H3,(H2,23,27)(H,25,29)(H,26,28) |
InChIKey | CEPJLVPHWQXBTR-UHFFFAOYSA-N |
Mol Weight | 408.46 g/mol |
Molecular Formula | C22H24N4O4 |
Exact Mass | 408.179755 g/mol |
SpectraBase Spectrum ID | DeBhtOhf9Fv |
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Name | Benzyl (1S)-2-{[(1S)-2-amino-1-(1H-indol-3-ylmethyl)-2-oxoethyl]amino}-1-methyl-2-oxoethylcarbamate |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 408.179755265 u |
Formula | C22H24N4O4 |
InChI | InChI=1S/C22H24N4O4/c1-14(25-22(29)30-13-15-7-3-2-4-8-15)21(28)26-19(20(23)27)11-16-12-24-18-10-6-5-9-17(16)18/h2-10,12,14,19,24H,11,13H2,1H3,(H2,23,27)(H,25,29)(H,26,28) |
InChIKey | CEPJLVPHWQXBTR-UHFFFAOYSA-N |
Molecular Weight | 408.458 g/mol |
SMILES | N1C2=C(C(CC(C(=O)N)NC(C(NC(=O)OCC3=CC=CC=C3)C)=O)=C1)C=CC=C2 |