(6R,7S)-3-(acetyloxymethyl)-7-[[(5R)-5-amino-5-carboxypentanoyl]amino]-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
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![(6R,7S)-3-(acetyloxymethyl)-7-[[(5R)-5-amino-5-carboxypentanoyl]amino]-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/15ba0fa2a815465396ecc9b5ddc706de.png "(6R,7S)-3-(acetyloxymethyl)-7-[[(5R)-5-amino-5-carboxypentanoyl]amino]-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid")
(6R,7S)-3-(acetyloxymethyl)-7-[[(5R)-5-amino-5-carboxypentanoyl]amino]-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
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CAS No:
41849-38-1
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Formula:
C17H23N3O9S
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Chemical Name:
(6R,7S)-3-(acetyloxymethyl)-7-[[(5R)-5-amino-5-carboxypentanoyl]amino]-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
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Synonyms:
7 alpha-methoxycephalosporin C;7-methoxycephalosporin C;7-methoxycephalosporin C, (6R-(6alpha,7alpha))-isomer;7-methoxycephalosporin C, diammonium salt;7-methoxycephalosporin C, disodium salt;7-methoxycephalosporin C, monoammonium salt;7-methoxycephalosporin C, monohydrochloride;7-methoxycephalosporin C, monosodium salt;7-methoxycephalosporin C, sodium salt;7-Methoxycephalosporin C;41849-38-1;Antibiotic A 16884;A-16884;Antibiotic A-16884;DTXSID70194647;5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-((acetyloxy)methyl)-7-((5-amino-5-carboxy-1-oxopentyl)amino)-7-methoxy-8-oxo-, (6R-(6-alpha,7-alpha,7(R*)))-;A-16884A;(6R,7S)-3-(acetyloxymethyl)-7-[[(5R)-5-amino-5-carboxypentanoyl]amino]-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
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CAS No:
(6R,7S)-3-(acetyloxymethyl)-7-[[(5R)-5-amino-5-carboxypentanoyl]amino]-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Basic Attributes
445.4 g/mol
445.11550049 g/mol
DTXSID70194647
Computed Properties
Molecular Weight:445.4
XLogP3:-3.7
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:11
Exact Mass:445.11550049
Monoisotopic Mass:445.11550049
Topological Polar Surface Area:211
Heavy Atom Count:30
Complexity:799
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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