 Home > Encyclopedia > 2,3-Dihydroxy-2-butenyl (6R,7R)-7-((R)-mandelamido)-3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate, cyclic 2,3-carbonate, ester with L-alanine

2,3-Dihydroxy-2-butenyl (6R,7R)-7-((R)-mandelamido)-3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate, cyclic 2,3-carbonate, ester with L-alanine

2,3-Dihydroxy-2-butenyl (6R,7R)-7-((R)-mandelamido)-3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate, cyclic 2,3-carbonate, ester with L-alanine structure

CAS No:
97275-40-6
Formula:
C27H27N5O9S3
Chemical Name:
2,3-Dihydroxy-2-butenyl (6R,7R)-7-((R)-mandelamido)-3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate, cyclic 2,3-carbonate, ester with L-alanine
Synonyms:
(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl-7(O-(alanyl)mandelamido)-3-((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl-3-cephem-4-carboxylate hydrochloride;cefcanel daloxate;KY 109;KY-109;Cefcanel daloxate;UNII-D9693UHF82;D9693UHF82;Cefcanel daloxato;Cefcanelum daloxatum;Cefcanel daloxate [INN];Cefcanel daloxato [INN-Spanish];Cefcanelum daloxatum [INN-Latin];97275-40-6;SCHEMBL1230536;Q27276258;2,3-Dihydroxy-2-butenyl (6R,7R)-7-((R)-mandelamido)-3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate, cyclic 2,3-carbonate, ester with L-alanine;L-Alanine, 2-((2-(((5-methyl-2-oxo-1,3-dioxol-4-yl)methoxy)carbonyl)-3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-7-yl)amino)-2-oxo-1-phenylethyl ester, monohydrochloride, (6R-(6alpha,7beta(R*)))-

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2,3-Dihydroxy-2-butenyl (6R,7R)-7-((R)-mandelamido)-3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate, cyclic 2,3-carbonate, ester with L-alanine Basic Attributes

Molecular Weight：

661.7 g/mol

Exact Mass：

661.09709098 g/mol

DSSTox ID：

DTXSID10242838

Characteristics

PSA：

268 Å²

Drug Information

MeSH Entry Terms：

(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl-7(O-(alanyl)mandelamido)-3-((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl-3-cephem-4-carboxylate hydrochloride

Computed Properties

Molecular Weight:661.7
XLogP3:1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:15
Rotatable Bond Count:13
Exact Mass:661.09709098
Monoisotopic Mass:661.09709098
Topological Polar Surface Area:268
Heavy Atom Count:44
Complexity:1260
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2,3-Dihydroxy-2-butenyl (6R,7R)-7-((R)-mandelamido)-3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate, cyclic 2,3-carbonate, ester with L-alanine

Basic Attributes
Characteristics
Drug Information
Computed Properties

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