Gramicidin-S
Compound with spectra: 2 NMR
| SpectraBase Compound ID | 5l6WWXC73fl |
|---|---|
| InChI | InChI=1S/C60H92N12O10.2ClH/c1-35(2)31-43-53(75)67-45(33-39-19-11-9-12-20-39)59(81)71-29-17-25-47(71)55(77)70-50(38(7)8)58(80)64-42(24-16-28-62)52(74)66-44(32-36(3)4)54(76)68-46(34-40-21-13-10-14-22-40)60(82)72-30-18-26-48(72)56(78)69-49(37(5)6)57(79)63-41(23-15-27-61)51(73)65-43;;/h9-14,19-22,35-38,41-50H,15-18,23-34,61-62H2,1-8H3,(H,63,79)(H,64,80)(H,65,73)(H,66,74)(H,67,75)(H,68,76)(H,69,78)(H,70,77);2*1H/t41-,42-,43-,44-,45-,46-,47-,48-,49-,50-;;/m0../s1 |
| InChIKey | KCUAVDXLFXNGDG-UQMAEAFHSA-N |
| Mol Weight | 1214.39 g/mol |
| Molecular Formula | C60H94Cl2N12O10 |
| Exact Mass | 1212.659293 g/mol |
| Parent InChIKey | IUAYMJGZBVDSGL-SARDKLJWSA-N |
| Enantiomer InChIKey | KCUAVDXLFXNGDG-OUOORMIQSA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | DMSO:MEOH=4:1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | HCOOH |
SEGETALIN-D;CYCLO-(-GLY-LEU-SER-PHE-ALA-PHE-PRO-)
HNGIDTWZBOOVGG-RJGXRXQPSA-N
DIHETEROPEPTIN;CYCLO-[2-AMINOISOBUTYRYL-(S)-PHENYLALANYL-(R)-PROLYL-(2S,8R,9R)-2-AMINO-8,9-DIHYDROXYDECANOYL-
DIHETEROPEPTINE
(2S)-2-[[2-[[(2S)-1-[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]-4-oxo-butanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]propanoic acid
acetic acid [(1R)-7-[(3S,9S,12R)-3-(benzyl)-2,5,8,11-tetraketo-6,6-dimethyl-1,4,7,10-tetrazabicyclo[10.3.0]pentadecan-9-yl]-2-keto-1-methyl-heptyl] ester
CYCLO-(-VAL-(1)-VAL-(2)-GLU-THR-(1)-THR-(2)-ALA-(1)-ALA-(2)-PRO-);MODEL_PEPTIDE
Proline, 1-[N-(N-benzoyl-L-valyl)-L-tyrosyl]-, methyl ester, benzoate (ester), L-
CYCLO-[N-(LYS-PHE)-ORN-VAL]
ASTIN-G
| Title | Journal or Book | Year |
|---|---|---|
| 15N NMR spectroscopy. 30—structure/shift relationships of oligopeptides and copolypeptides, including gramicidin S | Organic Magnetic Resonance | 1981 |
This compound is available in the following databases:
KnowItAll NMR Spectral Library
Author: Wiley
The KnowItAll NMR Spectral Library offers a comprehensive collection of NMR reference spectra, including NMR, CNMR, and XNMR, and covers a wide range of compounds including organics, polymers, monomers, metabolites, and more. Learn more.