5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-7-[[(2R)-amino(4-hydroxyphenyl)acetyl]amino]-8-oxo-, (6R,7R)-
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![5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-7-[[(2R)-amino(4-hydroxyphenyl)acetyl]amino]-8-oxo-, (6R,7R)- structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/a6a6e0fbcb1b429ebe2c9790ef9ca652.png "5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-7-[[(2R)-amino(4-hydroxyphenyl)acetyl]amino]-8-oxo-, (6R,7R)-")
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-7-[[(2R)-amino(4-hydroxyphenyl)acetyl]amino]-8-oxo-, (6R,7R)-
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CAS No:
28894-60-2
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Formula:
C18H19N3O7S
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Chemical Name:
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-7-[[(2R)-amino(4-hydroxyphenyl)acetyl]amino]-8-oxo-, (6R,7R)-
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Synonyms:
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,3-[(acetyloxy)methyl]-7-[[(2R)-amino(4-hydroxyphenyl)acetyl]amino]-8-oxo-,(6R,7R)-;5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,7-[2-amino-2-(p-hydroxyphenyl)acetamido]-3-(hydroxymethyl)-8-oxo-,3-acetate,D-;5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,3-[(acetyloxy)methyl]-7-[[amino(4-hydroxyphenyl)acetyl]amino]-8-oxo-,[6R-[6α,7β(R*)]]-;7-[D-α-Amino-α-(4-hydroxyphenyl)acetamido]cephalosporanic acid
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CAS No:
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-7-[[(2R)-amino(4-hydroxyphenyl)acetyl]amino]-8-oxo-, (6R,7R)- Basic Attributes
421.4 g/mol
421.42
249-292-3
Computed Properties
Molecular Weight:421.4
XLogP3:-3.3
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:7
Exact Mass:421.09437113
Monoisotopic Mass:421.09437113
Topological Polar Surface Area:185
Heavy Atom Count:29
Complexity:748
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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