Epithienamycin E
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Epithienamycin E
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CAS No:
79057-46-8
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Formula:
C13H16N2O8S2
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Chemical Name:
Epithienamycin E
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Synonyms:
1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid,3-[[(1E)-2-(acetylamino)ethenyl]thio]-7-oxo-6-[(1S)-1-(sulfooxy)ethyl]-,(5R,6R)-;1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid,3-[[2-(acetylamino)ethenyl]thio]-7-oxo-6-[1-(sulfooxy)ethyl]-,[5R-[3(E),5α,6β(S*)]]-;(5R,6R)-3-[[(1E)-2-(Acetylamino)ethenyl]thio]-7-oxo-6-[(1S)-1-(sulfooxy)ethyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;Epithienamycin E;78971-70-7
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CAS No:
Description
ChEBI: A member of the class of carbapenems that is (5R,6R)-3-{[(E)-2-aminoethenyl]sulfanyl}-6-[(1S)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid in which the free hydrox and amino groups are carrying sulfo and acetyl substituents respectively.
Epithienamycin E is a member of the class of carbapenems that is (5R,6R)-3-{[(E)-2-aminoethenyl]sulfanyl}-6-[(1S)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid in which the free hydroxy and amino groups are carrying sulfo and acetyl substituents respectively. It has a role as a bacterial metabolite. It is a member of acetamides, an organosulfonic acid and a member of carbapenems.
Computed Properties
Molecular Weight:392.4
XLogP3:-1.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:7
Exact Mass:392.03480782
Monoisotopic Mass:392.03480782
Topological Polar Surface Area:184
Heavy Atom Count:25
Complexity:767
Defined Atom Stereocenter Count:3
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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