5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2R)-hydroxyphenylacetyl]amino]-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-, (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl ester, (6R,7R)-

Base Information

Chemical Name:5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2R)-hydroxyphenylacetyl]amino]-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-, (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl ester, (6R,7R)-
CAS No.:92114-75-5
Molecular Formula:C24H22N4O8S3
Molecular Weight:0
Hs Code.:
DSSTox Substance ID:DTXSID801098359
Mol file:92114-75-5.mol

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2R)-hydroxyphenylacetyl]amino]-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-, (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl ester, (6R,7R)-

Synonyms:DTXSID801098359;5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2R)-hydroxyphenylacetyl]amino]-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-, (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl ester, (6R,7R)-

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Chemical Property of 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2R)-hydroxyphenylacetyl]amino]-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-, (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl ester, (6R,7R)-

Chemical Property:

PSA：243.91000
LogP:2.25300
XLogP3:1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:10
Exact Mass:590.05997719
Heavy Atom Count:39
Complexity:1100

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Canonical SMILES:CC1=C(OC(=O)O1)COC(=O)C2=C(CSC3N2C(=O)C3NC(=O)C(C4=CC=CC=C4)O)CSC5=NN=C(S5)C
Isomeric SMILES:CC1=C(OC(=O)O1)COC(=O)C2=C(CS[C@H]3N2C(=O)[C@H]3NC(=O)[C@@H](C4=CC=CC=C4)O)CSC5=NN=C(S5)C

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Technology Process of 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2R)-hydroxyphenylacetyl]amino]-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-, (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl ester, (6R,7R)-

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2R)-hydroxyphenylacetyl]amino]-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-, (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl ester, (6R,7R)-

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