PUFNADSPAVNISU-ZJIIMNLKSA-N
Compound with spectra: 1 NMR
| SpectraBase Compound ID | 9tCIc6k3T98 |
|---|---|
| InChI | InChI=1S/C49H66N6O10/c1-48(2,3)64-46(61)53-45(54-47(62)65-49(4,5)6)51-26-14-13-25-50-42(58)40-29-35-21-22-36(56)30-39(35)55(40)44(60)38(27-32-15-9-7-10-16-32)52-43(59)41(57)28-33-19-23-37(24-20-33)63-31-34-17-11-8-12-18-34/h7-12,15-20,23-24,35-36,38-41,56-57H,13-14,21-22,25-31H2,1-6H3,(H,50,58)(H,52,59)(H2,51,53,54,61,62)/t35-,36+,38-,39-,40-,41+/m0/s1 |
| InChIKey | PUFNADSPAVNISU-ZJIIMNLKSA-N |
| Mol Weight | 899.1 g/mol |
| Molecular Formula | C49H66N6O10 |
| Exact Mass | 898.484042 g/mol |
| Enantiomer InChIKey | PUFNADSPAVNISU-JHBHCHFESA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
AERUGINOSIN_DA642A;L-ORTHO-CL-HPLA-L-PHE-L-CHOI-AGMATINE;MAJOR_ROTAMER;TRANS
AERUGINOSIN_DA642B;D-ORTHO-CL-HPLA-L-PHE-L-CHOI-AGMATINE;MAJOR_ROTAMER;TRANS
AERUGINOSIN_KT_650;MINOR_TRANS_ROTAMER
AERUGINOSIN_KT_650;MAJOR_CIS_ROTAMER
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)-
AERUGINOSIN_GE730;D-M,M-DI-BR-P-HPLA-D-ALLO-ILE-L-CHOI-AGMATIME
AERUGINOSIN_GE686;D-M-BR-M'-CL-P-HPLA-D-ALLO-ILE-L-CHOI-AGMATIME
AERUGINOSIN_DA688;D-ORTHO-CL-HPLA-D-LEU-L-CHOI-6-SULFATE-AGMATINE;MAJOR_ROTAMER;TRANS
AERUGINOSIN_DA722;D-ORTHO,ORTHO-DI-CL-HPLA-D-LEU-L-CHOI-6-SULFATE-AGMATINE;TRANS
ACO-L-HPLA(BN)-D-LEU-3A,7A-DIEPI-L-CHOI(OAC)-OME;TRANS-ROTAMER
| Title | Journal or Book | Year |
|---|---|---|
| Synthesis of Microcin SF608 | The Journal of Organic Chemistry | 2002 |
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.