(5R,6S)-3-[[2-[[3-[[(2R)-2,4-Dihydroxy-3,3-dimethyl-1-oxobutyl]amino]-1-oxopropyl]amino]ethyl]thio]-6-[(1S)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
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![(5R,6S)-3-[[2-[[3-[[(2R)-2,4-Dihydroxy-3,3-dimethyl-1-oxobutyl]amino]-1-oxopropyl]amino]ethyl]thio]-6-[(1S)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/a800f95e62f54a9b85cc4c40f3a1c6d2.png "(5R,6S)-3-[[2-[[3-[[(2R)-2,4-Dihydroxy-3,3-dimethyl-1-oxobutyl]amino]-1-oxopropyl]amino]ethyl]thio]-6-[(1S)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid")
(5R,6S)-3-[[2-[[3-[[(2R)-2,4-Dihydroxy-3,3-dimethyl-1-oxobutyl]amino]-1-oxopropyl]amino]ethyl]thio]-6-[(1S)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
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CAS No:
82475-10-3
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Formula:
C20H31N3O8S
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Chemical Name:
(5R,6S)-3-[[2-[[3-[[(2R)-2,4-Dihydroxy-3,3-dimethyl-1-oxobutyl]amino]-1-oxopropyl]amino]ethyl]thio]-6-[(1S)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
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Synonyms:
1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid,3-[[2-[[3-[[(2R)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl]amino]-1-oxopropyl]amino]ethyl]thio]-6-[(1S)-1-hydroxyethyl]-7-oxo-,(5R,6S)-;1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid,3-[[2-[[3-[(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)amino]-1-oxopropyl]amino]ethyl]thio]-6-(1-hydroxyethyl)-7-oxo-,[5R-[3(R*),5α,6α(S*)]]-;(5R,6S)-3-[[2-[[3-[[(2R)-2,4-Dihydroxy-3,3-dimethyl-1-oxobutyl]amino]-1-oxopropyl]amino]ethyl]thio]-6-[(1S)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;Antibiotic OA 6129B2;OA-6129B2
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CAS No:
(5R,6S)-3-[[2-[[3-[[(2R)-2,4-Dihydroxy-3,3-dimethyl-1-oxobutyl]amino]-1-oxopropyl]amino]ethyl]thio]-6-[(1S)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Basic Attributes
473.544
473.54
Computed Properties
Molecular Weight:473.5
XLogP3:-1.3
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:12
Exact Mass:473.18318613
Monoisotopic Mass:473.18318613
Topological Polar Surface Area:202
Heavy Atom Count:32
Complexity:800
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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(5R,6S)-3-[[2-[[3-[[(2R)-2,4-Dihydroxy-3,3-dimethyl-1-oxobutyl]amino]-1-oxopropyl]amino]ethyl]thio]-6-[(1S)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
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