chitinovorin-D
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chitinovorin-D
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CAS No:
96684-37-6
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Formula:
C37H62N14O14S
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Chemical Name:
chitinovorin-D
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Synonyms:
chitinovorin D;chitinovorin-D;Chitinovorin D;Chitinovorin-D;96684-37-6;5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-(19-amino-6-(3-((aminoiminomethyl)amino)propyl)-14-((2-amino-1-oxopropyl)amino)-5,13-dihydroxy-19-imino-9-methyl-3,8,11-trioxo-2-oxa-7,10,18-triazanonadec-1-yl)-7-((5-amino-5-carboxy-1-oxopentyl)amino)-7-(formylamino)-8-oxo-, (6R-(3(5R*,6S*,9S*,13R*,14S*(S*)),6alpha,7beta(R*)))-;7-[(5-amino-5-carboxypentanoyl)amino]-3-[[4-[2-[[4-(2-aminopropanoylamino)-7-(diaminomethylideneamino)-3-hydroxyheptanoyl]amino]propanoylamino]-7-(diaminomethylideneamino)-3-hydroxyheptanoyl]oxymethyl]-7-formamido-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene
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CAS No:
Computed Properties
Molecular Weight:959.0
XLogP3:-11.2
Hydrogen Bond Donor Count:15
Hydrogen Bond Acceptor Count:19
Rotatable Bond Count:30
Exact Mass:958.42906388
Monoisotopic Mass:958.42906388
Topological Polar Surface Area:513
Heavy Atom Count:66
Complexity:1880
Undefined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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