![(4S)-4-[[(3S)-3-[dimethyl(phenyl)silyl]-1-oxobutyl]amino]-5-(triphenylmethyl)oxypentanoic acid](/api/spectrum/5vscKTmUEKO/structure.png?h=300&w=458 "(4S)-4-[[(3S)-3-[dimethyl(phenyl)silyl]-1-oxobutyl]amino]-5-(triphenylmethyl)oxypentanoic acid")
| SpectraBase Compound ID | 2iZLZd7IVKq |
|---|---|
| InChI | InChI=1S/C36H41NO4Si/c1-28(42(2,3)33-22-14-7-15-23-33)26-34(38)37-32(24-25-35(39)40)27-41-36(29-16-8-4-9-17-29,30-18-10-5-11-19-30)31-20-12-6-13-21-31/h4-23,28,32H,24-27H2,1-3H3,(H,37,38)(H,39,40)/t28-,32-/m0/s1 |
| InChIKey | HBAQUQZJOMOCSO-IUDBTDONSA-N |
| Mol Weight | 579.8 g/mol |
| Molecular Formula | C36H41NO4Si |
| Exact Mass | 579.280485 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5vscKTmUEKO |
|---|---|
| Name | (4S)-4-[[(3S)-3-[dimethyl(phenyl)silyl]-1-oxobutyl]amino]-5-(triphenylmethyl)oxypentanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 579.280485335 u |
| Formula | C36H41NO4Si |
| InChI | InChI=1S/C36H41NO4Si/c1-28(42(2,3)33-22-14-7-15-23-33)26-34(38)37-32(24-25-35(39)40)27-41-36(29-16-8-4-9-17-29,30-18-10-5-11-19-30)31-20-12-6-13-21-31/h4-23,28,32H,24-27H2,1-3H3,(H,37,38)(H,39,40)/t28-,32-/m0/s1 |
| InChIKey | HBAQUQZJOMOCSO-IUDBTDONSA-N |
| Molecular Weight | 579.812 g/mol |
| SMILES | C(OC[C@@](NC(C[C@@]([Si](C=1C=CC=CC1)(C)C)(C)[H])=O)(CCC(=O)O)[H])(C=1C=CC=CC1)(C=1C=CC=CC1)C=1C=CC=CC1 |