Antibiotic OA 6129B(sub 2)

(5R,6S)-3-[2-[3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-6-[(1S)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Also Known As: Antibiotic OA 6129B(sub 2)|Antibiotic OA 6129B2|OA-6129B2|OA-6129 B2|Antibiotic OA 6129B(sub 1)|J2.806.287G|(5R,6S)-3-[2-[3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-6-[(1S)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid|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*),5-alpha,6-alpha(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|(5R,6S)-3-[(2-{3-[(2R)-2,4-dihydroxy-3,3-dimethylbutanamido]propanamido}ethyl)sulfanyl]-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-dimethylbutyryl]amino]propanoyl]amino]ethyl]thio]-6-[(1S)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hepta-2-ene-2-carboxylic acid|(5R,6S)-3-{[2-({N-[(2R)-2,4-Dihydroxy-3,3-dimethylbutanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-6-[(1S)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid|1-Azabicyclo hept-2-ene-2-carboxylicacid,3-((2-((3-( -6- -7-oxo-,(5R-(3 ,5-alpha,6-alpha -|6-(1-Hydroxyethyl)-3-{[2-({1-hydroxy-3-[(1,2,4-trihydroxy-3,3-dimethylbutylidene)amino]propylidene}amino)ethyl]sulfanyl}-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Molecular Formula	C20H31N3O8S
Molecular Weight	473.1832 g/mol
LogP	-1.3708
Topological Polar Surface Area	176.5 Ų
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	8
Rotatable Bonds	12
Exact Mass	473.1832
Monoisotopic Mass	473.1832
Heavy Atoms	32
Complexity	797.71436

Chemical Identifiers

CAS Number	82475-10-3
SMILES	C[C@@H]([C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO)O)O