| SpectraBase Compound ID | Ai2fvnjCnjk |
|---|---|
| InChI | InChI=1S/C42H62N5O12PS2/c1-27(2)22-31(43)36(51)47-32(23-28-12-10-9-11-13-28)37(52)45-25-34(49)44-26-35(50)46-33(24-29-14-16-30(48)17-15-29)38(53)59-60(56,57-18-20-61-39(54)41(3,4)5)58-19-21-62-40(55)42(6,7)8/h9-17,27,31-33,48H,18-26,43H2,1-8H3,(H,44,49)(H,45,52)(H,46,50)(H,47,51) |
| InChIKey | RGUAPABBLWRWBN-UHFFFAOYSA-N |
| Mol Weight | 924.1 g/mol |
| Molecular Formula | C42H62N5O12PS2 |
| Exact Mass | 923.357402 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3ZDuGuPlHVA |
|---|---|
| Name | Boc_Cleavage_Conditions |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 923.357401790 u |
| Formula | C42H62N5O12PS2 |
| InChI | InChI=1S/C42H62N5O12PS2/c1-27(2)22-31(43)36(51)47-32(23-28-12-10-9-11-13-28)37(52)45-25-34(49)44-26-35(50)46-33(24-29-14-16-30(48)17-15-29)38(53)59-60(56,57-18-20-61-39(54)41(3,4)5)58-19-21-62-40(55)42(6,7)8/h9-17,27,31-33,48H,18-26,43H2,1-8H3,(H,44,49)(H,45,52)(H,46,50)(H,47,51) |
| InChIKey | RGUAPABBLWRWBN-UHFFFAOYSA-N |
| Molecular Weight | 924.075 g/mol |
| SMILES | C(=O)(C(C)(C)C)SCCOP(OCCSC(=O)C(C)(C)C)(=O)OC(=O)C(CC1=CC=C(O)C=C1)NC(=O)CNC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)CC(C)C |