(1S,9S)-N-[(2S)-1-(4-acetylanilino)-1-oxo-3-phenylpropan-2-yl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide
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![(1S,9S)-N-[(2S)-1-(4-acetylanilino)-1-oxo-3-phenylpropan-2-yl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/433941e22d0d4f0783cfd0c922727a7d.png "(1S,9S)-N-[(2S)-1-(4-acetylanilino)-1-oxo-3-phenylpropan-2-yl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide")
(1S,9S)-N-[(2S)-1-(4-acetylanilino)-1-oxo-3-phenylpropan-2-yl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide
structure -
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CAS No:
956436-38-7
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Formula:
C29H30N4O4
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Chemical Name:
(1S,9S)-N-[(2S)-1-(4-acetylanilino)-1-oxo-3-phenylpropan-2-yl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide
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Synonyms:
ZINC2148849;STL540186;AKOS030496812;(1R,5R)-N-((S)-1-((4-acetylphenyl)amino)-1-oxo-3-phenylpropan-2-yl)-8-oxo-4,5,6,8-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(2H)-carboxamide;(1S,5S)-N-{(2S)-1-[(4-acetylphenyl)amino]-1-oxo-3-phenylpropan-2-yl}-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide;956436-38-7
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CAS No:
(1S,9S)-N-[(2S)-1-(4-acetylanilino)-1-oxo-3-phenylpropan-2-yl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide Basic Attributes
498.6 g/mol
498.22670545 g/mol
Computed Properties
Molecular Weight:498.6
XLogP3:2.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:498.22670545
Monoisotopic Mass:498.22670545
Topological Polar Surface Area:98.8
Heavy Atom Count:37
Complexity:961
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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