(4S,7S,10R,13S)-13-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-7-(benzyl)-6,9,12-triketo-3,3,10,14,14-pentamethyl-1,2-dithia-5,8,11-triazacyclotetradecane-4-carboxylic acid
Compound with spectra: 1 NMR
![(4S,7S,10R,13S)-13-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-7-(benzyl)-6,9,12-triketo-3,3,10,14,14-pentamethyl-1,2-dithia-5,8,11-triazacyclotetradecane-4-carboxylic acid](/api/compound/LJD9C8wl43T.png?ph=true&h=300&w=458 "(4S,7S,10R,13S)-13-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-7-(benzyl)-6,9,12-triketo-3,3,10,14,14-pentamethyl-1,2-dithia-5,8,11-triazacyclotetradecane-4-carboxylic acid")
| SpectraBase Compound ID | LJD9C8wl43T |
|---|---|
| InChI | InChI=1S/C31H41N5O7S2/c1-17-25(38)34-22(16-18-9-7-6-8-10-18)27(40)36-24(29(42)43)31(4,5)45-44-30(2,3)23(28(41)33-17)35-26(39)21(32)15-19-11-13-20(37)14-12-19/h6-14,17,21-24,37H,15-16,32H2,1-5H3,(H,33,41)(H,34,38)(H,35,39)(H,36,40)(H,42,43)/t17-,21+,22+,23+,24+/m1/s1 |
| InChIKey | MHBICIILIUROKI-KJPKYUFDSA-N |
| Mol Weight | 659.8 g/mol |
| Molecular Formula | C31H41N5O7S2 |
| Exact Mass | 659.244741 g/mol |
| Enantiomer InChIKey | MHBICIILIUROKI-PDDXABJKSA-N |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | DMSO-D6 |
CORDYCOMMUNIN
CYCLO-(GLY-ASP-LEU-THR-VAL-TYR-PHE)
JBIR-95;PAA-VAL-CYA-ALA2-HLE-GLY-ALA1-PHE
ARENAMIDE_B
SCOPULARIDE_B;CYCLO-(3-HYDROXY-4-METHYLOCTANOYL-GLY-L-VYL-D-LEU-L-ALA-L-PHE)
L-TYROSINE, N-[N-[N-[N-(3-AMINO-2-HYDROXY-1-OXODECYL)-L-ALANYL-L-VALYL]-N-METHYL-L-TYROSYL]-
ARENAMIDE_A
SCOPULARIDE_A;CYCLO-(3-HYDROXY-4-METHYLDECANOYL-GLY-L-VYL-D-LEU-L-ALA-L-PHE)
DIANTHIN-F;CYCLO-(GLY-(1)-PRO-(2)-PHE-(3)-VAL-(4)-PHE-(5))
| Title | Journal or Book | Year |
|---|---|---|
|
Conformational Determinants of Agonist versus Antagonist Properties of [ |
Journal of the American Chemical Society | 1996 |
This compound is available in the following databases:
KnowItAll NMR Spectral Library
Author: Wiley
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