chitinovorin-B
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chitinovorin-B
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CAS No:
95722-76-2
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Formula:
C29H46N10O12S
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Chemical Name:
chitinovorin-B
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Synonyms:
chitinovorin B;chitinovorin-B;Chitinovorin B;Chitinovorin-B;95722-76-2;7-[(5-amino-5-carboxypentanoyl)amino]-3-[[4-[2-(2-aminopropanoylamino)propanoylamino]-7-(diaminomethylideneamino)-3-hydroxyheptanoyl]oxymethyl]-7-formamido-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;L-Alaninamide, L-alanyl-N-(4-((7-((5-amino-5-carboxy-1-oxopentyl)amino)-2-carboxy-7-(formylamino)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methoxy)-1-(3-((aminoiminomethyl)amino)propyl)-2-hydroxy-4-oxobutyl)-, (6R-(3(1S*,2R*),6alpha,7beta(R*)))-
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CAS No:
Computed Properties
Molecular Weight:758.8
XLogP3:-9.1
Hydrogen Bond Donor Count:11
Hydrogen Bond Acceptor Count:16
Rotatable Bond Count:22
Exact Mass:758.30173811
Monoisotopic Mass:758.30173811
Topological Polar Surface Area:400
Heavy Atom Count:52
Complexity:1460
Undefined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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