| SpectraBase Compound ID | KwkOT0V3R8h |
|---|---|
| InChI | InChI=1S/C32H29N3O5S/c1-3-40-32(37)27(17-23-18-33-26-10-5-4-9-24(23)26)34-31(36)19(2)35-41(38,39)28-16-14-22-12-11-20-7-6-8-21-13-15-25(28)30(22)29(20)21/h4-16,18-19,27,33,35H,3,17H2,1-2H3,(H,34,36)/t19-,27-/m1/s1 |
| InChIKey | NQWVCDLKJAAUIG-XHCCPWGMSA-N |
| Mol Weight | 567.7 g/mol |
| Molecular Formula | C32H29N3O5S |
| Exact Mass | 567.182792 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BxlcKFUbfri |
|---|---|
| Name | N-(1-PYRENESULFONYL)-L-ALANYL-L-TRYPTOPHAN_ETHYLESTER;PYR-ALA-TRP-O-ET |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H29N3O5S |
| InChI | InChI=1S/C32H29N3O5S/c1-3-40-32(37)27(17-23-18-33-26-10-5-4-9-24(23)26)34-31(36)19(2)35-41(38,39)28-16-14-22-12-11-20-7-6-8-21-13-15-25(28)30(22)29(20)21/h4-16,18-19,27,33,35H,3,17H2,1-2H3,(H,34,36)/t19-,27-/m1/s1 |
| InChIKey | NQWVCDLKJAAUIG-XHCCPWGMSA-N |
| Literature Reference Author | G.JONES,L.N.LU |
| Literature Reference Citation | J.ORG.CHEM.,63,8938(1998) |
| Literature Reference DOI | 10.1021/jo981241g |
| Molecular Weight | 567.659 g/mol |
| Sample ID | 26655 |
| Solvent | CDCl3 |