| SpectraBase Compound ID | 1aDCTnjtVfn |
|---|---|
| InChI | InChI=1S/C34H37N3O7/c1-22(2)29(36-30(38)24-11-6-4-7-12-24)31(39)35-27(32(40)37-20-10-15-28(37)34(42)43-3)21-23-16-18-26(19-17-23)44-33(41)25-13-8-5-9-14-25/h4-9,11-14,16-19,22,27-29H,10,15,20-21H2,1-3H3,(H,35,39)(H,36,38)/i4D,5D,6D,7D,8D,9D,11D,12D,13D,14D |
| InChIKey | WBORWVXIEXFBRG-QGGPENBRSA-N |
| Mol Weight | 609.7 g/mol |
| Molecular Formula | C34H272D10N3O7 |
| Exact Mass | 609.325918 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LPNAf7rrdG4 |
|---|---|
| Name | D5-Benzoyl-val(0-D5-benzoyl)thr-bro-ome |
| CAS Registry Number | 21024-54-4 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C34H27D10N3O7 |
| InChI | InChI=1S/C34H37N3O7/c1-22(2)29(36-30(38)24-11-6-4-7-12-24)31(39)35-27(32(40)37-20-10-15-28(37)34(42)43-3)21-23-16-18-26(19-17-23)44-33(41)25-13-8-5-9-14-25/h4-9,11-14,16-19,22,27-29H,10,15,20-21H2,1-3H3,(H,35,39)(H,36,38)/i4D,5D,6D,7D,8D,9D,11D,12D,13D,14D |
| InChIKey | WBORWVXIEXFBRG-QGGPENBRSA-N |
| Molecular Weight | 609.745 g/mol |
| SMILES | N(C(C(NC(=O)c1c(c([2D])c(c(c1[2D])[2D])[2D])[2D])C(C)C)=O)C(C(N1C(C(=O)OC)CCC1)=O)Cc1ccc(OC(=O)c2c(c([2D])c(c(c2[2D])[2D])[2D])[2D])cc1 |
| SPLASH | splash10-00or-0892000000-382f7e1f1e2a70210514 |
| Source of Spectrum | T-68-5788-0 |
| Wiley ID | 65242 |