(1S,9S)-N-[(2S)-1-(4-butylanilino)-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-butylanilino)-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/20220811/80e30dbbc4254ac18c3dc551df281075.png "(1S,9S)-N-[(2S)-1-(4-butylanilino)-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-butylanilino)-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:
956049-69-7
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Formula:
C31H36N4O3
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Chemical Name:
(1S,9S)-N-[(2S)-1-(4-butylanilino)-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:
ZINC2092642;AKOS016358415;(1R,5R)-N-((S)-1-((4-butylphenyl)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,9S)-N~11~-[(1S)-1-benzyl-2-(4-butylanilino)-2-oxoethyl]-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-diene-11-carboxamide;956049-69-7
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CAS No:
(1S,9S)-N-[(2S)-1-(4-butylanilino)-1-oxo-3-phenylpropan-2-yl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide Basic Attributes
512.6 g/mol
512.27874102 g/mol
Computed Properties
Molecular Weight:512.6
XLogP3:4.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:8
Exact Mass:512.27874102
Monoisotopic Mass:512.27874102
Topological Polar Surface Area:81.8
Heavy Atom Count:38
Complexity:916
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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