(2R,5R,6R)-6-[[2-(diaminomethylidenecarbamoylamino)-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
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![(2R,5R,6R)-6-[[2-(diaminomethylidenecarbamoylamino)-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/bfc92861aae64c4eb8ed217886b53451.png "(2R,5R,6R)-6-[[2-(diaminomethylidenecarbamoylamino)-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid")
(2R,5R,6R)-6-[[2-(diaminomethylidenecarbamoylamino)-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
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CAS No:
28889-87-4
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Formula:
C18H22N6O5S
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Chemical Name:
(2R,5R,6R)-6-[[2-(diaminomethylidenecarbamoylamino)-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
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Synonyms:
6-(D-alpha-(3-guanylureido)phenylacetamido)penicillanic acid;BL P1654;BL-P1654;BLP 1654;BLP 1654, sodium salt;BLP-1654;D-6-(2-(3-amidinoureido)-2-phenylacetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid;28889-87-4;Blp 1654;UNII-0BL51C9681;Blp-1654;0BL51C9681;BL P1654;DTXSID00951523;6-(D-alpha-(3-Guanylureido)phenylacetamido)penicillanic acid;(2R,5R,6R)-6-[[2-(diaminomethylidenecarbamoylamino)-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;D-6-(2-(3-Amidinoureido)-2-phenylacetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid;(2S-(2alpha,5alpha,6beta(S*)))-6-((((((Aminoiminomethyl)amino)carbonyl)amino)phenylacetyl)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid;6-[(2-{[Carbamimidamido(hydroxy)methylidene]amino}-1-hydroxy-2-phenylethylidene)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
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CAS No:
(2R,5R,6R)-6-[[2-(diaminomethylidenecarbamoylamino)-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Basic Attributes
434.5 g/mol
434.13723900 g/mol
Computed Properties
Molecular Weight:434.5
XLogP3:0.4
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:434.13723900
Monoisotopic Mass:434.13723900
Topological Polar Surface Area:206
Heavy Atom Count:30
Complexity:777
Defined Atom Stereocenter Count:3
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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