(5R)-2,5,6,7-Tetrahydro-1,4-thiazepine-3,5-dicarboxylic acid
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(5R)-2,5,6,7-Tetrahydro-1,4-thiazepine-3,5-dicarboxylic acid
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CAS No:
87254-95-3
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Formula:
C7H9NO4S
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Chemical Name:
(5R)-2,5,6,7-Tetrahydro-1,4-thiazepine-3,5-dicarboxylic acid
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Synonyms:
1,4-Thiazepine-3,5-dicarboxylic acid,2,5,6,7-tetrahydro-,(5R)-;1,4-Thiazepine-3,5-dicarboxylic acid,2,5,6,7-tetrahydro-,(R)-;(5R)-2,5,6,7-Tetrahydro-1,4-thiazepine-3,5-dicarboxylic acid
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CAS No:
Description
Solid
Cystathionine ketimine is a 1-thia-4-azacyclohepta-3-ene-3,5-dicarboxylic acid that has R-configuration. It is cyclic sulfur-containing imino acid detected in bovine brain extracts. It has a role as a human urinary metabolite, a reactive oxygen species generator, a mammalian metabolite and a rat metabolite. It is a 1-thia-4-azacyclohepta-3-ene-3,5-dicarboxylic acid and a sulfur-containing amino acid.
(5R)-2,5,6,7-Tetrahydro-1,4-thiazepine-3,5-dicarboxylic acid Basic Attributes
203.22 g/mol
203.22
DTXSID40236240
Computed Properties
Molecular Weight:203.22
XLogP3:0.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:203.02522894
Monoisotopic Mass:203.02522894
Topological Polar Surface Area:112
Heavy Atom Count:13
Complexity:263
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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