AERUGINOSIN_DA722;D-ORTHO,ORTHO-DI-CL-HPLA-D-LEU-L-CHOI-6-SULFATE-AGMATINE;TRANS
Compound with spectra: 1 NMR
| SpectraBase Compound ID | BWSzFpn90Cp |
|---|---|
| InChI | InChI=1S/C29H44Cl2N6O9S/c1-15(2)9-21(36-27(41)24(38)12-16-10-19(30)25(39)20(31)11-16)28(42)37-22-14-18(46-47(43,44)45)6-5-17(22)13-23(37)26(40)34-7-3-4-8-35-29(32)33/h10-11,15,17-18,21-24,38-39H,3-9,12-14H2,1-2H3,(H,34,40)(H,36,41)(H4,32,33,35)(H,43,44,45)/t17-,18+,21+,22-,23-,24+/m0/s1 |
| InChIKey | UVNFBGACXCESOX-PVPAWSFNSA-N |
| Mol Weight | 723.7 g/mol |
| Molecular Formula | C29H44Cl2N6O9S |
| Exact Mass | 722.226754 g/mol |
| Enantiomer InChIKey | UVNFBGACXCESOX-QCIYFODSSA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | DMSO-D6 |
AERUGINOSIN_DA688;D-ORTHO-CL-HPLA-D-LEU-L-CHOI-6-SULFATE-AGMATINE;MAJOR_ROTAMER;TRANS
AERUGINOSIN_DA642B;D-ORTHO-CL-HPLA-L-PHE-L-CHOI-AGMATINE;MAJOR_ROTAMER;TRANS
AERUGINOSIN_DA642A;L-ORTHO-CL-HPLA-L-PHE-L-CHOI-AGMATINE;MAJOR_ROTAMER;TRANS
AERUGINOSIN_GE686;D-M-BR-M'-CL-P-HPLA-D-ALLO-ILE-L-CHOI-AGMATIME
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)-
PUFNADSPAVNISU-ZJIIMNLKSA-N
AERUGINOSIN_KT_650;MAJOR_CIS_ROTAMER
AERUGINOSIN_KT_650;MINOR_TRANS_ROTAMER
AERUGINOSIN_GE730;D-M,M-DI-BR-P-HPLA-D-ALLO-ILE-L-CHOI-AGMATIME
ACO-L-HPLA(BN)-D-LEU-3A,7A-DIEPI-L-CHOI(OAC)-OME;TRANS-ROTAMER
| Title | Journal or Book | Year |
|---|---|---|
| Protease Inhibitors from Microcystis aeruginosa Bloom Material Collected from the Dalton Reservoir, Israel | Journal of Natural Products | 2013 |
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.