(6R,7R)-7-Amino-3-[[[5-(carboxymethyl)-4-methyl-2-thiazolyl]thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
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![(6R,7R)-7-Amino-3-[[[5-(carboxymethyl)-4-methyl-2-thiazolyl]thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/fea506d6eb974c908d736d268d8a7d01.png "(6R,7R)-7-Amino-3-[[[5-(carboxymethyl)-4-methyl-2-thiazolyl]thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid")
(6R,7R)-7-Amino-3-[[[5-(carboxymethyl)-4-methyl-2-thiazolyl]thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
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CAS No:
111298-82-9
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Formula:
C14H15N3O5S3
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Chemical Name:
(6R,7R)-7-Amino-3-[[[5-(carboxymethyl)-4-methyl-2-thiazolyl]thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
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Synonyms:
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,7-amino-3-[[[5-(carboxymethyl)-4-methyl-2-thiazolyl]thio]methyl]-8-oxo-,(6R,7R)-;5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,7-amino-3-[[[5-(carboxymethyl)-4-methyl-2-thiazolyl]thio]methyl]-8-oxo-,(6R-trans)-;(6R,7R)-7-Amino-3-[[[5-(carboxymethyl)-4-methyl-2-thiazolyl]thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;TACS
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CAS No:
(6R,7R)-7-Amino-3-[[[5-(carboxymethyl)-4-methyl-2-thiazolyl]thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Basic Attributes
401.47
401.48
403-690-5
Safety Information
42/43-52/53
22-24-37-61
Xn
P261, P272, P273, P280, P285, P302+P352, P304+P341, P321, P333+P313, P342+P311, P363, P501
H317
|Danger|H317: May cause an allergic skin reaction [Warning Sensitization, Skin]|P261, P272, P273, P280, P285, P302+P352, P304+P341, P321, P333+P313, P342+P311, P363, and P501
Computed Properties
Molecular Weight:401.5
XLogP3:-2.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:6
Exact Mass:401.01738411
Monoisotopic Mass:401.01738411
Topological Polar Surface Area:213
Heavy Atom Count:25
Complexity:643
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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(6R,7R)-7-Amino-3-[[[5-(carboxymethyl)-4-methyl-2-thiazolyl]thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
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