(4S,7S)-7-[[(1S)-1-carboxy-3-(4-hydroxyphenyl)propyl]amino]-6-oxo-1,2,3,4,7,8,9,10-octahydropyridazino[1,2-a]diazepine-4-carboxylic acid
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![(4S,7S)-7-[[(1S)-1-carboxy-3-(4-hydroxyphenyl)propyl]amino]-6-oxo-1,2,3,4,7,8,9,10-octahydropyridazino[1,2-a]diazepine-4-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/3bd514ce5929478aa591bb7fc9eca7d9.png "(4S,7S)-7-[[(1S)-1-carboxy-3-(4-hydroxyphenyl)propyl]amino]-6-oxo-1,2,3,4,7,8,9,10-octahydropyridazino[1,2-a]diazepine-4-carboxylic acid")
(4S,7S)-7-[[(1S)-1-carboxy-3-(4-hydroxyphenyl)propyl]amino]-6-oxo-1,2,3,4,7,8,9,10-octahydropyridazino[1,2-a]diazepine-4-carboxylic acid
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CAS No:
144284-57-1
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Formula:
C20H27N3O6
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Chemical Name:
(4S,7S)-7-[[(1S)-1-carboxy-3-(4-hydroxyphenyl)propyl]amino]-6-oxo-1,2,3,4,7,8,9,10-octahydropyridazino[1,2-a]diazepine-4-carboxylic acid
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Synonyms:
I(125)-Ro 31-8472;Ro 31-8472;Ro-31-8472;Ro 31-8472;144284-57-1;6H-Pyridazino(1,2-a)(1,2)diazepine-1-carboxylic acid, 9-((1-carboxy-3-(4-hydroxyphenyl)propyl)amino)octahydro-10-oxo-, (1S-(1alpha,9alpha(R*)))-;Ro-31-8472;I(125)-Ro 31-8472;DTXSID10932282;9-{[1-Carboxy-3-(4-hydroxyphenyl)propyl]amino}-10-oxooctahydro-6H-pyridazino[1,2-a][1,2]diazepine-1-carboxylic acid
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CAS No:
(4S,7S)-7-[[(1S)-1-carboxy-3-(4-hydroxyphenyl)propyl]amino]-6-oxo-1,2,3,4,7,8,9,10-octahydropyridazino[1,2-a]diazepine-4-carboxylic acid Basic Attributes
405.4 g/mol
405.18998559 g/mol
Computed Properties
Molecular Weight:405.4
XLogP3:-2.8
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:7
Exact Mass:405.18998559
Monoisotopic Mass:405.18998559
Topological Polar Surface Area:130
Heavy Atom Count:29
Complexity:607
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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