![BOC-L-ARG-(TOS)-L-PRO-PHI-[CN4]-L-ALA-OBZL](/api/spectrum/5yR8HvdZtOh/structure.png?h=300&w=458 "BOC-L-ARG-(TOS)-L-PRO-PHI-[CN4]-L-ALA-OBZL")
| SpectraBase Compound ID | GzhHYsAUrAN |
|---|---|
| InChI | InChI=1S/C33H45N9O7S/c1-22-15-17-25(18-16-22)50(46,47)38-31(34)35-19-9-13-26(36-32(45)49-33(3,4)5)29(43)41-20-10-14-27(41)28-37-39-40-42(28)23(2)30(44)48-21-24-11-7-6-8-12-24/h6-8,11-12,15-18,23,26-27H,9-10,13-14,19-21H2,1-5H3,(H,36,45)(H3,34,35,38)/t23?,26-,27?/m0/s1 |
| InChIKey | PTJVZBNQULZUIN-YJPOWDFOSA-N |
| Mol Weight | 711.8 g/mol |
| Molecular Formula | C33H45N9O7S |
| Exact Mass | 711.316266 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5yR8HvdZtOh |
|---|---|
| Name | BOC-L-ARG-(TOS)-L-PRO-PHI-[CN4]-L-ALA-OBZL |
| CAS Registry Number | 137234-19-6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H45N9O7S |
| InChI | InChI=1S/C33H45N9O7S/c1-22-15-17-25(18-16-22)50(46,47)38-31(34)35-19-9-13-26(36-32(45)49-33(3,4)5)29(43)41-20-10-14-27(41)28-37-39-40-42(28)23(2)30(44)48-21-24-11-7-6-8-12-24/h6-8,11-12,15-18,23,26-27H,9-10,13-14,19-21H2,1-5H3,(H,36,45)(H3,34,35,38)/t23?,26-,27?/m0/s1 |
| InChIKey | PTJVZBNQULZUIN-YJPOWDFOSA-N |
| Literature Reference Author | J.ZABROCKI,J.B.DUNBAR,K.W.MARSHALL,M.V.TOTH,G.R.MARSHALL |
| Literature Reference Citation | J.ORG.CHEM.,57,202(1992) |
| Literature Reference DOI | 10.1021/jo00027a038 |
| Molecular Weight | 711.836 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS1686 |