(2S)-1-[(6R,7S)-3-(acetyloxymethyl)-7-methoxy-5,5,8-trioxo-5λ6-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carbonyl]pyrrolidine-2-carboxylic acid
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![(2S)-1-[(6R,7S)-3-(acetyloxymethyl)-7-methoxy-5,5,8-trioxo-5λ6-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carbonyl]pyrrolidine-2-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/a1e9e059ba994374b4e57b31256953fd.png "(2S)-1-[(6R,7S)-3-(acetyloxymethyl)-7-methoxy-5,5,8-trioxo-5λ6-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carbonyl]pyrrolidine-2-carboxylic acid")
(2S)-1-[(6R,7S)-3-(acetyloxymethyl)-7-methoxy-5,5,8-trioxo-5λ6-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carbonyl]pyrrolidine-2-carboxylic acid
structure -
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CAS No:
116507-04-1
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Formula:
C16H20N2O9S
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Chemical Name:
(2S)-1-[(6R,7S)-3-(acetyloxymethyl)-7-methoxy-5,5,8-trioxo-5λ6-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carbonyl]pyrrolidine-2-carboxylic acid
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Synonyms:
3-acetoxymethyl-7-methoxy-1-aza-5-thia-8-oxo-bicyclo(4.2.0)oct-2-ene-2-carboxypyrrolidine carboxamide;L 658,758;L 658758;L-658,758;L-658758;L 658758;L-658758;116507-04-1;CHEMBL446371;((6R,7S)-3-(acetoxymethyl)-7-methoxy-5,5-dioxido-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carbonyl)-L-proline;L-658,758;L 658,758;UNII-YMN4MD1ZGQ;YMN4MD1ZGQ;(6R-cis)-1-((3-((Acetyloxy)methyl)-7-methoxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-2-yl)carbonyl)-L-proline S,S-dioxide;3-Acetoxymethyl-7-methoxy-1-aza-5-thia-8-oxo-bicyclo(4.2.0)oct-2-ene-2-carboxypyrrolidine carboxamide;SCHEMBL18498419;DTXSID30922084;BDBM50368407;L-Proline, 1-((3-((acetyloxy)methyl)-7-methoxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-2-yl)carbonyl)-, S,S-dioxide, (6R-cis)-;UNII-YMN4MD1ZGQ component SMZXYXKZTNLAKY-ITDIGPHOSA-N;(2S)-1-[(6R,7S)-3-(acetyloxymethyl)-7-methoxy-5,5,8-trioxo-5$l^{6}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carbonyl]pyrrolidine-2-carboxylic acid;1-{3-[(Acetyloxy)methyl]-7-methoxy-5,5,8-trioxo-5lambda~6~-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carbonyl}proline
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CAS No:
(2S)-1-[(6R,7S)-3-(acetyloxymethyl)-7-methoxy-5,5,8-trioxo-5λ6-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carbonyl]pyrrolidine-2-carboxylic acid Basic Attributes
416.4 g/mol
416.08895139 g/mol
YMN4MD1ZGQ
Drug Information
Exogenous or endogenous compounds which inhibit SERINE ENDOPEPTIDASES. (See all compounds classified as Serine Proteinase Inhibitors.)
3-acetoxymethyl-7-methoxy-1-aza-5-thia-8-oxo-bicyclo(4.2.0)oct-2-ene-2-carboxypyrrolidine carboxamide
Computed Properties
Molecular Weight:416.4
XLogP3:-2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:6
Exact Mass:416.08895139
Monoisotopic Mass:416.08895139
Topological Polar Surface Area:156
Heavy Atom Count:28
Complexity:873
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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