![2-Hydroxy-5-(6-nitro-1H-benzo[D]imidazol-2-yl)-benzoyl pro-ala-dev](/api/spectrum/DZHiE3mOc0l/structure.png?h=300&w=458 "2-Hydroxy-5-(6-nitro-1H-benzo[D]imidazol-2-yl)-benzoyl pro-ala-dev")
| SpectraBase Compound ID | CccDiqDrAtK |
|---|---|
| InChI | InChI=1S/C22H21N5O7/c1-11(22(31)32)23-20(29)17-3-2-8-26(17)21(30)14-9-12(4-7-18(14)28)19-24-15-6-5-13(27(33)34)10-16(15)25-19/h4-7,9-11,17,28H,2-3,8H2,1H3,(H,23,29)(H,24,25)(H,31,32) |
| InChIKey | MRSUJYSMUJQIDN-UHFFFAOYSA-N |
| Mol Weight | 467.44 g/mol |
| Molecular Formula | C22H21N5O7 |
| Exact Mass | 467.144098 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DZHiE3mOc0l |
|---|---|
| Name | 2-Hydroxy-5-(6-nitro-1H-benzo[D]imidazol-2-yl)-benzoyl pro-ala-dev |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 467.144098029 u |
| Formula | C22H21N5O7 |
| InChI | InChI=1S/C22H21N5O7/c1-11(22(31)32)23-20(29)17-3-2-8-26(17)21(30)14-9-12(4-7-18(14)28)19-24-15-6-5-13(27(33)34)10-16(15)25-19/h4-7,9-11,17,28H,2-3,8H2,1H3,(H,23,29)(H,24,25)(H,31,32) |
| InChIKey | MRSUJYSMUJQIDN-UHFFFAOYSA-N |
| Molecular Weight | 467.438 g/mol |
| SMILES | C(N1C(C(NC(C(=O)O)C)=O)CCC1)(C1=CC(C2=NC3=CC=C(N(=O)=O)C=C3N2)=CC=C1O)=O |