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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

Compound with spectra: 1 MS (GC)

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
SpectraBase Compound ID CPTI788zuOQ
InChI InChI=1S/C27H33N7O13S/c28-27(33-24(41)14-8-9-18(48(45,46)47)22(39)21(14)38)29-10-2-5-15(32-23(40)13-4-1-7-17(35)20(13)37)25(42)30-12-19(36)31-16-6-3-11-34(44)26(16)43/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 PQJGWSIFZZTSHI-CVEARBPZSA-N
Mol Weight 695.7 g/mol
Molecular Formula C27H33N7O13S
Exact Mass 695.185705 g/mol
Enantiomer InChIKey PQJGWSIFZZTSHI-JKSUJKDBSA-N

View Spectrum of 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

MS (GC) Spectrum
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Source of Spectrum G4-76-SM3-Heterobactin S1
N-ALLYLOXYCARBONYL-(S-PALMITOYL)-L-CYSTEYL-L-METHIONYL-GLYCYL-L-LEUCYL-L-PROLYL-(S-FARNESYL)-L-CYSTEINE-METHYLESTER;ALOCCYS(PAL)-METGLYLEUPROCYS-(F
N-(6-MALEIMIDOCAPROYL)-GLYCYL-S-TERT.-BUTYLTHIO-L-CYSTEYL-L-METHIONYLGLYCYL-L-LEUCYL-L-PROLYL-S-FARNESYL-L-CYSTEINE-METHYLESTER
N-(6-MALEIMIDOCAPROYL)-GLYCYL-S-HEXADECYL-L-CYSTEYL-L-METHIONYLGLYCYL-L-LEUCYL-L-PROLYL-S-FARNESYL-L-CYSTEINE-METHYLESTER
N(N-Benzoyl-(O-benzyl-L-threonyl)-L-alanyl-L-phenylalanyl)-4R-hydroxy-L-proline methyl ester
4-amino-5-chloro-N-(1-methyloctahydro-3,5-methanocyclopenta[b]pyrrol-6-yl)-o-anisamide
BOC-GLU-(O-TERT.-BUTYL)-TYR-[SO2C6H3(3-OH)(4-COOH)]-LEU-OBZL
N-(9-FLUORENYLMETHYLOXYCARBONYL)-L-METHIONYLGLYCYL-L-LEUCYL-L-PROLINE
(-)-6-(R)-[(2E)-4-[(tert-Butyldimethylsilyl)oxy]-3-methylbut-2-enyl]-2,5-diketo-4-(4-mehtoxybenzyl)-1,4-diazabicyclo[4.3.0]nonane
3,4-Dihydro-2H-quinolin-1-yl-(1-mesylindolin-5-yl)methanone
N-(6-MALEIMIDOCAPROYL)-GLYCYL-S-PALMITOYL-L-CYSTEYL-L-METHIONYLGLYCYL-L-LEUCYL-L-PROLYL-S-HEXADECYL-L-CYSTEINE-METHYLESTER
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