AERUGINOSIN_GE730;D-M,M-DI-BR-P-HPLA-D-ALLO-ILE-L-CHOI-AGMATIME
Compound with spectra: 1 NMR
| SpectraBase Compound ID | t4zqgt16ZE |
|---|---|
| InChI | InChI=1S/C29H44Br2N6O6/c1-3-15(2)24(36-27(42)23(39)12-16-10-19(30)25(40)20(31)11-16)28(43)37-21-14-18(38)7-6-17(21)13-22(37)26(41)34-8-4-5-9-35-29(32)33/h10-11,15,17-18,21-24,38-40H,3-9,12-14H2,1-2H3,(H,34,41)(H,36,42)(H4,32,33,35)/t15-,17-,18+,21-,22-,23+,24+/m0/s1 |
| InChIKey | HLHFYIIZYTUCEC-GPSFYHMWSA-N |
| Mol Weight | 732.5 g/mol |
| Molecular Formula | C29H44Br2N6O6 |
| Exact Mass | 730.168909 g/mol |
| Enantiomer InChIKey | HLHFYIIZYTUCEC-BNVJDMFNSA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | DMSO-D6 |
1H-INDOLE-2-CARBOXAMIDE, N-[4-[(AMINOIMINOETHYL)AMINO]BUTYL]OCTAHYDRO-1-[2-[[2-HYDROXY-3-(4-HYDROXYPHENYL)-1-OXOPROPYL]AMINO]-3-METHYL-1-OXOPENTYL]-6-(SULFOOXY)-
1H-INDOLE-2-CARBOXAMIDE, N-[4-[(AMINOIMINOETHYL)AMINO]BUTYL]OCTAHYDRO-1-[2-[[2-HYDROXY-3-(3-CHLORO-4-HYDROXYPHENYL)-1-OXOPROPYL]AMINO]-3-METHYL-1-OXOPENTYL]-6-(SULFOOXY)-
IN652;D-ORTHO-BR-HPLA-D-LEU-L-CHOI-AGMATINE
AERUGINOSIN_DA642A;L-ORTHO-CL-HPLA-L-PHE-L-CHOI-AGMATINE;MAJOR_ROTAMER;TRANS
IN608;D-ORTHO-CL-HPLA-D-LEU-L-CHOI-AGMATINE
PUFNADSPAVNISU-ZJIIMNLKSA-N
AERUGINOSIN_KT_650;MINOR_TRANS_ROTAMER
AERUGINOSIN_KT_650;MAJOR_CIS_ROTAMER
AERUGINOSIN_DA688;D-ORTHO-CL-HPLA-D-LEU-L-CHOI-6-SULFATE-AGMATINE;MAJOR_ROTAMER;TRANS
HO-D-HPLA-D-TYR-L-CHOI-L-ARGOL
| Title | Journal or Book | Year |
|---|---|---|
| Bromine- and Chlorine-Containing Aeruginosins from Microcystis aeruginosa Bloom Material Collected in Kibbutz Geva, Israel | Journal of Natural Products | 2012 |
This compound is available in the following databases:
KnowItAll NMR Spectral Library
Author: Wiley
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