2-({5-[(3-carboxy-4,5,6,7-tetrahydro-1-benzothien-2-yl)amino]-3,3-dimethyl-5-oxopentanoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
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2-({5-[(3-carboxy-4,5,6,7-tetrahydro-1-benzothien-2-yl)amino]-3,3-dimethyl-5-oxopentanoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
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CAS No:
312940-52-6
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Formula:
C25H30N2O6S2
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Chemical Name:
2-({5-[(3-carboxy-4,5,6,7-tetrahydro-1-benzothien-2-yl)amino]-3,3-dimethyl-5-oxopentanoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
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Synonyms:
2-({5-[(3-carboxy-4,5,6,7-tetrahydro-1-benzothien-2-yl)amino]-3,3-dimethyl-5-oxopentanoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid;AE-848/37236062;ZINC2158389;STK744752;AKOS003680805;MCULE-6122252325;SR-01000438543;SR-01000438543-1;2,2"-[(3,3-dimethyl-1,5-dioxopentane-1,5-diyl)diimino]bis(4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid)
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CAS No:
2-({5-[(3-carboxy-4,5,6,7-tetrahydro-1-benzothien-2-yl)amino]-3,3-dimethyl-5-oxopentanoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Basic Attributes
518.6455
518.155
Computed Properties
Molecular Weight:518.6
XLogP3:5.7
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:8
Exact Mass:518.15452903
Monoisotopic Mass:518.15452903
Topological Polar Surface Area:189
Heavy Atom Count:35
Complexity:786
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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