(6R,7R)-7-[(4-Carboxy-1-oxobutyl)amino]-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
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![(6R,7R)-7-[(4-Carboxy-1-oxobutyl)amino]-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/8f54a9fd4c4d416e899001850b822c6e.png "(6R,7R)-7-[(4-Carboxy-1-oxobutyl)amino]-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid")
(6R,7R)-7-[(4-Carboxy-1-oxobutyl)amino]-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
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CAS No:
55779-10-7
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Formula:
C13H16N2O7S
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Chemical Name:
(6R,7R)-7-[(4-Carboxy-1-oxobutyl)amino]-3-(hydroxymethyl)-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-[(4-carboxy-1-oxobutyl)amino]-3-(hydroxymethyl)-8-oxo-,(6R,7R)-;5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,7-[(4-carboxy-1-oxobutyl)amino]-3-(hydroxymethyl)-8-oxo-,(6R-trans)-;(6R,7R)-7-[(4-Carboxy-1-oxobutyl)amino]-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;7β-(4-Carboxybutanamido)-3-hydroxymethyl-3-cephem-4-carboxylic acid;3-(Hydroxymethyl)-7β-(4-carboxybutanamido)-3-cephem-4-carboxylic acid;Desacetyl 7-glutaryl ACA;Glutaryl 7-aminodeacetyl cephalosporanic acid;7-(Glutarylamido)-O-deacetylcephalosporanic acid;7-(Glutarylamino)-O-deacetylcephalosporanic acid
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CAS No:
(6R,7R)-7-[(4-Carboxy-1-oxobutyl)amino]-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Basic Attributes
344.338
344.34
DTXSID30204337
Computed Properties
Molecular Weight:344.34
XLogP3:-2.3
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:7
Exact Mass:344.06782203
Monoisotopic Mass:344.06782203
Topological Polar Surface Area:170
Heavy Atom Count:23
Complexity:589
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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(6R,7R)-7-[(4-Carboxy-1-oxobutyl)amino]-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
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