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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)-

Compound with spectra: 1 NMR

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)-
SpectraBase Compound ID Ade1YZ6qANU
InChI InChI=1S/C29H45ClN6O6/c1-3-16(2)25(35-27(41)24(39)13-17-6-9-23(38)20(30)12-17)28(42)36-21-15-19(37)8-7-18(21)14-22(36)26(40)33-10-4-5-11-34-29(31)32/h6,9,12,16,18-19,21-22,24-25,37-39H,3-5,7-8,10-11,13-15H2,1-2H3,(H,33,40)(H,35,41)(H4,31,32,34)
InChIKey SDGIBJVOLGWMJS-UHFFFAOYSA-N
Mol Weight 609.2 g/mol
Molecular Formula C29H45ClN6O6
Exact Mass 608.308911 g/mol

View Spectrum of 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)-

13C NMR Spectrum
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Solvent DMSO-d6
AERUGINOSIN_GE686;D-M-BR-M'-CL-P-HPLA-D-ALLO-ILE-L-CHOI-AGMATIME
AERUGINOSIN_GE730;D-M,M-DI-BR-P-HPLA-D-ALLO-ILE-L-CHOI-AGMATIME
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_DA688;D-ORTHO-CL-HPLA-D-LEU-L-CHOI-6-SULFATE-AGMATINE;MAJOR_ROTAMER;TRANS
PUFNADSPAVNISU-ZJIIMNLKSA-N
AERUGINOSIN_KT_650;MAJOR_CIS_ROTAMER
AERUGINOSIN_KT_650;MINOR_TRANS_ROTAMER
HO-D-HPLA-D-TYR-L-CHOI-L-ARGOL(ALPHA-METHYL)
HO-D-HPLA-D-PHE(4-F)-L-CHOI-L-ARGOL
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