HETEROBACTIN_S2
Compound with spectra: 1 NMR, and 1 MS (GC)
| SpectraBase Compound ID | 2SxGVZN2OJX |
|---|---|
| InChI | InChI=1S/C27H33N7O13S/c28-27(33-24(41)13-4-1-7-17(35)20(13)37)29-10-2-5-15(25(42)30-12-19(36)31-16-6-3-11-34(44)26(16)43)32-23(40)14-8-9-18(48(45,46)47)22(39)21(14)38/h1,4,7-9,15-16,35,37-39,44H,2-3,5-6,10-12H2,(H,30,42)(H,31,36)(H,32,40)(H,45,46,47)(H3,28,29,33,41)/t15-,16+/m1/s1 |
| InChIKey | AAZGAWHIAQHAKU-CVEARBPZSA-N |
| Mol Weight | 695.7 g/mol |
| Molecular Formula | C27H33N7O13S |
| Exact Mass | 695.185705 g/mol |
| Enantiomer InChIKey | AAZGAWHIAQHAKU-JKSUJKDBSA-N |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | G4-76-SM4-Heterobactin S2 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | DMSO-D6 |
- 4-[[(1R)-4-[[(E)-N'-(2,3-dihydroxybenzoyl)carbamimidoyl]amino]-1-[[2-[[(3S)-1-hydroxy-2-oxo-3-piperidyl]amino]-2-oxo-ethyl]carbamoyl]butyl]carbamoyl]-2,3-dihydroxy-benzenesulfonic acid
4-[(E)-[amino-[[(4R)-4-[(2,3-dihydroxybenzoyl)amino]-5-[[2-[[(3S)-1-hydroxy-2-oxo-3-piperidyl]amino]-2-oxo-ethyl]amino]-5-oxo-pentyl]amino]methylene]carbamoyl]-2,3-dihydroxy-benzenesulfonic acid
#41B;N-(6-MALEIMIDOCAPROYL)-L-METHIONYLGLYCYL-L-LEUCYL-L-PROLYL-S-[(E,E)-8-O-(2-N-METHYL-AMINOBENZOYL)-3,7,11-TRIMETHYL-2,6,10-DODECATRIENE]-L-CYSTEINE-METHYLE
Benzamide, N-(4-cyano-5-methyl-2-oxo-3-trifluoromethyl-2,3-dihydro-1H-pyrrol-3-yl)-2-methoxy-
#41A;N-(6-MALEIMIDOCAPROYL)-L-METHIONYLGLYCYL-L-LEUCYL-L-PROLYL-S-[(E,E)-8-O-(2-N-METHYL-AMINOBENZOYL)-3,7-DIMETHYL-2,6-OCTANDIENE]-L-CYSTEINE-METHYLESTER
Amisulpride TFA
BrASILINBACTIN_A;MAJOR_ISOMER
NOCARDIMICIN_I
NOCARDIMICIN_G
NOCARDIMICIN_H
O-dimethylaminobenzoylleucyltryptophylleucyl ethyl ester
| Title | Journal or Book | Year |
|---|---|---|
| Structural Characterization of the Heterobactin Siderophores from Rhodococcus erythropolis PR4 and Elucidation of Their Biosynthetic Machinery | Journal of Natural Products | 2013 |
This compound is available in the following databases:
KnowItAll NMR Spectral Library
Author: Wiley
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