6-[[(1S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-1-(4-hydroxyphenyl)-2-oxoethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
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![6-[[(1S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-1-(4-hydroxyphenyl)-2-oxoethyl]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/20220812/77ab5e23cdad411eb44a515934d5a684.png "6-[[(1S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-1-(4-hydroxyphenyl)-2-oxoethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid")
6-[[(1S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-1-(4-hydroxyphenyl)-2-oxoethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
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CAS No:
85849-50-9
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Formula:
C20H25N5O7S
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Chemical Name:
6-[[(1S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-1-(4-hydroxyphenyl)-2-oxoethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
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CAS No:
6-[[(1S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-1-(4-hydroxyphenyl)-2-oxoethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Basic Attributes
479.50700
479.14746933
Computed Properties
Molecular Weight:479.5
XLogP3:-3.7
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:8
Exact Mass:479.14746933
Monoisotopic Mass:479.14746933
Topological Polar Surface Area:230
Heavy Atom Count:33
Complexity:845
Defined Atom Stereocenter Count:2
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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