| SpectraBase Compound ID | Lgt5DJGxqZT |
|---|---|
| InChI | InChI=1S/C56H75N9O9S2/c1-7-35(4)48-55(72)58-41(25-28-76(6)74)49(66)60-43(29-34(2)3)50(67)59-42(24-27-75-5)56(73)65-26-16-23-47(65)54(71)63-45(31-37-19-12-9-13-20-37)52(69)61-44(30-36-17-10-8-11-18-36)51(68)62-46(53(70)64-48)32-38-33-57-40-22-15-14-21-39(38)40/h8-15,17-22,33-35,41-48,57H,7,16,23-32H2,1-6H3,(H,58,72)(H,59,67)(H,60,66)(H,61,69)(H,62,68)(H,63,71)(H,64,70)/t35?,41-,42-,43+,44-,45+,46+,47-,48+,76?/m0/s1 |
| InChIKey | RGLVOQUKDGQVGR-QNRIFZBFSA-N |
| Mol Weight | 1082.4 g/mol |
| Molecular Formula | C56H75N9O9S2 |
| Exact Mass | 1081.512917 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KXUBx7pddji |
|---|---|
| Name | CYCLOLINOPEPTIDE-H;CYCLO-(PRO-PHE-PHE-TRP-ILE-MSO-LEU-MET) |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C56H75N9O9S2 |
| InChI | InChI=1S/C56H75N9O9S2/c1-7-35(4)48-55(72)58-41(25-28-76(6)74)49(66)60-43(29-34(2)3)50(67)59-42(24-27-75-5)56(73)65-26-16-23-47(65)54(71)63-45(31-37-19-12-9-13-20-37)52(69)61-44(30-36-17-10-8-11-18-36)51(68)62-46(53(70)64-48)32-38-33-57-40-22-15-14-21-39(38)40/h8-15,17-22,33-35,41-48,57H,7,16,23-32H2,1-6H3,(H,58,72)(H,59,67)(H,60,66)(H,61,69)(H,62,68)(H,63,71)(H,64,70)/t35?,41-,42-,43+,44-,45+,46+,47-,48+,76?/m0/s1 |
| InChIKey | RGLVOQUKDGQVGR-QNRIFZBFSA-N |
| Literature Reference Author | T.MATSUMOTO,A.SHISHIDO,H.MORITA,H.ITOKAWA,K.TAKEYA |
| Literature Reference Citation | PHYTOCHEM.,57,251(2001) |
| Literature Reference DOI | 10.1016/S0031-9422(00)00442-8 |
| Molecular Weight | 1082.386 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWVN2147 |