(1S,9S)-6-oxo-N-[(2S)-1-oxo-3-phenyl-1-(propylamino)propan-2-yl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide
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![(1S,9S)-6-oxo-N-[(2S)-1-oxo-3-phenyl-1-(propylamino)propan-2-yl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/1a2a9a01289949999bb66369c73c8ab2.png "(1S,9S)-6-oxo-N-[(2S)-1-oxo-3-phenyl-1-(propylamino)propan-2-yl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide")
(1S,9S)-6-oxo-N-[(2S)-1-oxo-3-phenyl-1-(propylamino)propan-2-yl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide
structure -
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CAS No:
956148-58-6
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Formula:
C24H30N4O3
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Chemical Name:
(1S,9S)-6-oxo-N-[(2S)-1-oxo-3-phenyl-1-(propylamino)propan-2-yl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide
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Synonyms:
ZINC2096320;STL546051;AKOS030497992;(1R,5R)-8-oxo-N-((S)-1-oxo-3-phenyl-1-(propylamino)propan-2-yl)-4,5,6,8-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(2H)-carboxamide;(1S,5S)-8-oxo-N-[(2S)-1-oxo-3-phenyl-1-(propylamino)propan-2-yl]-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide;956148-58-6
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CAS No:
(1S,9S)-6-oxo-N-[(2S)-1-oxo-3-phenyl-1-(propylamino)propan-2-yl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide Basic Attributes
422.5 g/mol
422.23179083 g/mol
Computed Properties
Molecular Weight:422.5
XLogP3:2.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:422.23179083
Monoisotopic Mass:422.23179083
Topological Polar Surface Area:81.8
Heavy Atom Count:31
Complexity:756
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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