ethyl 4-[3-[[(1S,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbonyl]amino]propanoylamino]benzoate
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ethyl 4-[3-[[(1S,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbonyl]amino]propanoylamino]benzoate
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CAS No:
1212096-06-4
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Formula:
C24H28N4O5
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Chemical Name:
ethyl 4-[3-[[(1S,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbonyl]amino]propanoylamino]benzoate
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Synonyms:
ZINC2093085;STL563142;AKOS030497282;1212096-06-4;ethyl 4-[(N-{[(1S,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonyl}-beta-alanyl)amino]benzoate
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CAS No:
ethyl 4-[3-[[(1S,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbonyl]amino]propanoylamino]benzoate Basic Attributes
452.5 g/mol
452.20597001 g/mol
Computed Properties
Molecular Weight:452.5
XLogP3:1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:452.20597001
Monoisotopic Mass:452.20597001
Topological Polar Surface Area:108
Heavy Atom Count:33
Complexity:846
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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