| SpectraBase Compound ID | 2reHqEGGEWn |
|---|---|
| InChI | InChI=1S/C33H39N3O7/c1-25(35-33(40)42-24-27-15-7-3-8-16-27)20-21-30(37)36-29(31(38)41-23-26-13-5-2-6-14-26)19-11-12-22-34-32(39)43-28-17-9-4-10-18-28/h2-10,13-18,25,29H,11-12,19-24H2,1H3,(H,34,39)(H,35,40)(H,36,37)/t25?,29-/m0/s1 |
| InChIKey | UIPXMBBRJAYRQN-QFCCLOIZSA-N |
| Mol Weight | 589.7 g/mol |
| Molecular Formula | C33H39N3O7 |
| Exact Mass | 589.278801 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CqNPJ9mzPgp |
|---|---|
| Name | .alpha.-(Carbophenoxy-.gamma.-aminobutyryl)-eta-carbobenzoxy-L-lysine benzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 589.278800601 u |
| Formula | C33H39N3O7 |
| InChI | InChI=1S/C33H39N3O7/c1-25(35-33(40)42-24-27-15-7-3-8-16-27)20-21-30(37)36-29(31(38)41-23-26-13-5-2-6-14-26)19-11-12-22-34-32(39)43-28-17-9-4-10-18-28/h2-10,13-18,25,29H,11-12,19-24H2,1H3,(H,34,39)(H,35,40)(H,36,37)/t25?,29-/m0/s1 |
| InChIKey | UIPXMBBRJAYRQN-QFCCLOIZSA-N |
| Molecular Weight | 589.689 g/mol |
| SMILES | C(C[C@@](C(OCC1=CC=CC=C1)=O)(NC(CCC(C)NC(OCC1=CC=CC=C1)=O)=O)[H])CCNC(=O)OC1=CC=CC=C1 |