Echinocandin B, 1-[(4R,5R)-4,5-dihydroxy-N2-(1-oxotetradecyl)-L-ornithine]-5-[(3R)-3-hydroxy-L-glutamine]-
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Echinocandin B, 1-[(4R,5R)-4,5-dihydroxy-N2-(1-oxotetradecyl)-L-ornithine]-5-[(3R)-3-hydroxy-L-glutamine]-
structure -
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CAS No:
61991-02-4
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Formula:
C49H78N8O17
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Chemical Name:
Echinocandin B, 1-[(4R,5R)-4,5-dihydroxy-N2-(1-oxotetradecyl)-L-ornithine]-5-[(3R)-3-hydroxy-L-glutamine]-
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Synonyms:
Antibiotic S 31794F1;61991-02-4;N-[(3-amino-1-hydroxy-3-oxo-propyl)-[1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-tetrahydroxy-(1-hydroxyethyl)-methyl-hexaoxo-[?]yl]tetradecanamide
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CAS No:
Echinocandin B, 1-[(4R,5R)-4,5-dihydroxy-N2-(1-oxotetradecyl)-L-ornithine]-5-[(3R)-3-hydroxy-L-glutamine]- Basic Attributes
1051.2 g/mol
1050.54849305 g/mol
Computed Properties
Molecular Weight:1051.2
XLogP3:0.4
Hydrogen Bond Donor Count:15
Hydrogen Bond Acceptor Count:17
Rotatable Bond Count:20
Exact Mass:1050.54849305
Monoisotopic Mass:1050.54849305
Topological Polar Surface Area:411
Heavy Atom Count:74
Complexity:1890
Undefined Atom Stereocenter Count:15
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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