2-[[4-[(3-carboxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobutanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
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![2-[[4-[(3-carboxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobutanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/449db04586b34fa2a8412d399b49cf50.png "2-[[4-[(3-carboxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobutanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid")
2-[[4-[(3-carboxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobutanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
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CAS No:
342595-06-6
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Formula:
C22H24N2O6S2
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Chemical Name:
2-[[4-[(3-carboxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobutanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
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Synonyms:
2,2'-[(1,4-dioxobutane-1,4-diyl)diimino]bis(4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid);ZINC2158351;STK537711;AKOS005468431;MCULE-7558900992;342595-06-6
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CAS No:
2-[[4-[(3-carboxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobutanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Basic Attributes
476.6 g/mol
476.10757884 g/mol
Computed Properties
Molecular Weight:476.6
XLogP3:4.5
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:7
Exact Mass:476.10757884
Monoisotopic Mass:476.10757884
Topological Polar Surface Area:189
Heavy Atom Count:32
Complexity:703
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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