| SpectraBase Compound ID | KQGCmMkssXB |
|---|---|
| InChI | InChI=1S/C32H37N3O7/c36-29(19-21-34-32(39)42-24-27-16-8-3-9-17-27)35-28(30(37)40-22-25-12-4-1-5-13-25)18-10-11-20-33-31(38)41-23-26-14-6-2-7-15-26/h1-9,12-17,28H,10-11,18-24H2,(H,33,38)(H,34,39)(H,35,36)/t28-/m0/s1 |
| InChIKey | KINFKCQRJABZBQ-NDEPHWFRSA-N |
| Mol Weight | 575.7 g/mol |
| Molecular Formula | C32H37N3O7 |
| Exact Mass | 575.263151 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9OEmjuYsBqB |
|---|---|
| Name | .alpha.-(Carbobenzyloxy-.beta.-alanyl)-eta-carbobenzyloxy-L-lysine benzyl(ester) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 575.263150536 u |
| Formula | C32H37N3O7 |
| InChI | InChI=1S/C32H37N3O7/c36-29(19-21-34-32(39)42-24-27-16-8-3-9-17-27)35-28(30(37)40-22-25-12-4-1-5-13-25)18-10-11-20-33-31(38)41-23-26-14-6-2-7-15-26/h1-9,12-17,28H,10-11,18-24H2,(H,33,38)(H,34,39)(H,35,36)/t28-/m0/s1 |
| InChIKey | KINFKCQRJABZBQ-NDEPHWFRSA-N |
| Molecular Weight | 575.662 g/mol |
| SMILES | C1=CC=CC=C1COC(=O)NCCC(=O)N[C@](C(=O)OCC=1C=CC=CC1)(CCCCNC(=O)OCC1=CC=CC=C1)[H] |