![C-[AVA-BETA-ALA-ALA-TRP-VAL]](/api/spectrum/LY9Kz4QzAMt/structure.png?h=300&w=458 "C-[AVA-BETA-ALA-ALA-TRP-VAL]")
| SpectraBase Compound ID | B3COvLqi6RH |
|---|---|
| InChI | InChI=1S/C27H38N6O5/c1-16(2)24-27(38)29-12-7-6-10-22(34)28-13-11-23(35)31-17(3)25(36)32-21(26(37)33-24)14-18-15-30-20-9-5-4-8-19(18)20/h4-5,8-9,15-17,21,24,30H,6-7,10-14H2,1-3H3,(H,28,34)(H,29,38)(H,31,35)(H,32,36)(H,33,37)/t17-,21+,24-/m0/s1 |
| InChIKey | XITZMOQMLNDABA-UQJUWTFNSA-N |
| Mol Weight | 526.6 g/mol |
| Molecular Formula | C27H38N6O5 |
| Exact Mass | 526.290368 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LY9Kz4QzAMt |
|---|---|
| Name | C-[AVA-BETA-ALA-ALA-TRP-VAL] |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H38N6O5 |
| InChI | InChI=1S/C27H38N6O5/c1-16(2)24-27(38)29-12-7-6-10-22(34)28-13-11-23(35)31-17(3)25(36)32-21(26(37)33-24)14-18-15-30-20-9-5-4-8-19(18)20/h4-5,8-9,15-17,21,24,30H,6-7,10-14H2,1-3H3,(H,28,34)(H,29,38)(H,31,35)(H,32,36)(H,33,37)/t17-,21+,24-/m0/s1 |
| InChIKey | XITZMOQMLNDABA-UQJUWTFNSA-N |
| Literature Reference Author | S.TERRACCIANO,I.BRUNO,G.BIFULCO,J.E.COPPER,C.D.SMITH,L.GOMEZ -PALOMA,R.RICCIO |
| Literature Reference Citation | J.NAT.PROD.,67,1325(2004) |
| Literature Reference DOI | 10.1021/np049955b |
| Molecular Weight | 526.636 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMZ7336 |