N6-Hydroxy-N2-[(S)-2-(2-hydroxy-6-methyl-phenyl)-4,5-dihydro-oxazol-4-carbonyl]-N6-octadec-2c-enoyl-L-lysin-[(1S,2R)-1-aethyl-2-((S)-1-hydroxy-2-oxo-hexahydro-azepin-3-ylcarbamoyl)-propylester=>
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![N6-Hydroxy-N2-[(S)-2-(2-hydroxy-6-methyl-phenyl)-4,5-dihydro-oxazol-4-carbonyl]-N6-octadec-2c-enoyl-L-lysin-[(1S,2R)-1-aethyl-2-((S)-1-hydroxy-2-oxo-hexahydro-azepin-3-ylcarbamoyl)-propylester=> structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/0f1cabbed47a4ab6a2a6271d5331dfcd.png "N6-Hydroxy-N2-[(S)-2-(2-hydroxy-6-methyl-phenyl)-4,5-dihydro-oxazol-4-carbonyl]-N6-octadec-2c-enoyl-L-lysin-[(1S,2R)-1-aethyl-2-((S)-1-hydroxy-2-oxo-hexahydro-azepin-3-ylcarbamoyl)-propylester=>")
N6-Hydroxy-N2-[(S)-2-(2-hydroxy-6-methyl-phenyl)-4,5-dihydro-oxazol-4-carbonyl]-N6-octadec-2c-enoyl-L-lysin-[(1S,2R)-1-aethyl-2-((S)-1-hydroxy-2-oxo-hexahydro-azepin-3-ylcarbamoyl)-propylester=>
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CAS No:
1264-66-0
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Formula:
C47H75N5O10
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Chemical Name:
N6-Hydroxy-N2-[(S)-2-(2-hydroxy-6-methyl-phenyl)-4,5-dihydro-oxazol-4-carbonyl]-N6-octadec-2c-enoyl-L-lysin-[(1S,2R)-1-aethyl-2-((S)-1-hydroxy-2-oxo-hexahydro-azepin-3-ylcarbamoyl)-propylester=>
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Synonyms:
Mycobactin P; L-Lysine,N2-((4,5-dihydro-2-(2-hydroxy-6-methylphenyl)-4-oxazolyl)carbonyl)-N6-hydroxy-N6-(1-oxo-2-octadecenyl)-,1-ethyl-3-((hexahydro-1-hydroxy-2-oxo-1H-azepin-3-yl)amino)-2-methyl-3-oxopropyl ester,stereoisomer; N6-hydroxy-N2-[(S)-2-(2-hydroxy-6-methyl-phenyl)-4,5-dihydro-oxazole-4-carbonyl]-N6-octadec-2c-enoyl-L-lysin-[(1S,2R)-1-ethyl-2-((S)-1-hydroxy-2-oxo-hexahydro-azepin-3-ylcarbamoyl)-propyl ester=>; N6-Hydroxy-N2-[(S)-2-(2-hydroxy-6-methyl-phenyl)-4,5-dihydro-oxazol-4-carbonyl]-N6-octadec-2c-enoyl-L-lysin-[(1S,2R)-1-aethyl-2-((S)-1-hydroxy-2-oxo-hexahydro-azepin-3-ylcarbamoyl)-propylester=>;
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CAS No:
N6-Hydroxy-N2-[(S)-2-(2-hydroxy-6-methyl-phenyl)-4,5-dihydro-oxazol-4-carbonyl]-N6-octadec-2c-enoyl-L-lysin-[(1S,2R)-1-aethyl-2-((S)-1-hydroxy-2-oxo-hexahydro-azepin-3-ylcarbamoyl)-propylester=> Basic Attributes
870.12600
869.55139361
Computed Properties
Molecular Weight:870.1
XLogP3:10
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:30
Exact Mass:869.55139361
Monoisotopic Mass:869.55139361
Topological Polar Surface Area:207
Heavy Atom Count:62
Complexity:1430
Undefined Atom Stereocenter Count:5
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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