4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
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![4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/42db637ad9dc4ba4940fcd99d5a1360a.png "4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid")
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
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CAS No:
148091-75-2
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Formula:
C34H38N4O10S2
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Chemical Name:
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
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Synonyms:
XML 2;XML 3;XML-2;XML-3;148091-75-2;XML 2;XML 3;XML-2;ACMC-20d7ix;XML-3;DTXSID20933306;4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid,6,6'-[(6,7-dihydro-7-oxo-2,9a(5aH)-dibenzofurandiyl)bis[(1-oxo-2,1-ethanediyl)imino]]bis[3,3-dimethyl-7-oxo-,dimethyl ester, [2S-[2a,5a,6b[5aS*,9aS*(2'R*,5'S*,6'S*)]]]- (9CI);methyl 6-[[2-[9a-[2-[(2-methoxycarbonyl-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptan-6-yl)amino]-2-oxoethyl]-7-oxo-5a,6-dihydrodibenzofuran-3-yl]acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate;2,2'-(7-Oxo-6,7-dihydrodibenzo[b,d]furan-3,9a(5aH)-diyl)bis{N-[2-(methoxycarbonyl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]ethanimidic acid}
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CAS No:
Computed Properties
Molecular Weight:726.8
XLogP3:1.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:10
Exact Mass:726.20293577
Monoisotopic Mass:726.20293577
Topological Polar Surface Area:228
Heavy Atom Count:50
Complexity:1580
Undefined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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