| SpectraBase Compound ID | FLmpGJ7K7B0 |
|---|---|
| InChI | InChI=1S/C42H63N9O8/c1-9-24(6)35-41(58)46-26(8)37(54)45-25(7)36(53)44-21-34(52)47-32(18-23(4)5)42(59)51-16-12-15-33(51)40(57)49-31(19-27-20-43-29-14-11-10-13-28(27)29)38(55)48-30(17-22(2)3)39(56)50-35/h10-11,13-14,20,22-26,30-33,35,43H,9,12,15-19,21H2,1-8H3,(H,44,53)(H,45,54)(H,46,58)(H,47,52)(H,48,55)(H,49,57)(H,50,56)/t24?,25-,26+,30+,31-,32-,33+,35-/m0/s1 |
| InChIKey | KXHNUNAXSHSVTI-VHSSALBJSA-N |
| Mol Weight | 822.0 g/mol |
| Molecular Formula | C42H63N9O8 |
| Exact Mass | 821.47996 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3MVoLOYZNGG |
|---|---|
| Name | CYCLO-(GLY-LEU-PRO-TRP-LEU-ILE-ALA-ALA) |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H63N9O8 |
| InChI | InChI=1S/C42H63N9O8/c1-9-24(6)35-41(58)46-26(8)37(54)45-25(7)36(53)44-21-34(52)47-32(18-23(4)5)42(59)51-16-12-15-33(51)40(57)49-31(19-27-20-43-29-14-11-10-13-28(27)29)38(55)48-30(17-22(2)3)39(56)50-35/h10-11,13-14,20,22-26,30-33,35,43H,9,12,15-19,21H2,1-8H3,(H,44,53)(H,45,54)(H,46,58)(H,47,52)(H,48,55)(H,49,57)(H,50,56)/t24?,25-,26+,30+,31-,32-,33+,35-/m0/s1 |
| InChIKey | KXHNUNAXSHSVTI-VHSSALBJSA-N |
| Literature Reference Author | T.MATSUMOTO,K.NISHIMURA,K.TAKEYA |
| Literature Reference Citation | CHEM.PHARM.BULL.,50,857(2002) |
| Literature Reference DOI | 10.1248/cpb.50.857 |
| Molecular Weight | 822.018 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVN8250 |