AC1MIISD

(2S,5R,6R)-6-[[3-carboxy-4-(4-methoxyphenyl)butanoyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Also Known As: 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-((3-carboxy-4-(4-methoxyphenyl)-1-oxobutyl)amino)-3,3-dimethyl-7-oxo-, (2S-(2-alpha,5-alpha,6-beta))-|(2S,5R,6R)-6-[[4-hydroxy-3-[(4-methoxyphenyl)methyl]-4-oxobutanoyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid|(2S,5R,6R)-6-{[3-Carboxy-1-hydroxy-4-(4-methoxyphenyl)butylidene]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid|6-{[3-Carboxy-1-hydroxy-4-(4-methoxyphenyl)butylidene]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Molecular Formula	C20H24N2O7S
Molecular Weight	436.13043 g/mol
LogP	0.9603
Topological Polar Surface Area	133.24 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	6
Rotatable Bonds	8
Exact Mass	436.13043
Monoisotopic Mass	436.13043
Heavy Atoms	30
Complexity	870.4109

Chemical Identifiers

CAS Number	60947-83-3
SMILES	CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CC(CC3=CC=C(C=C3)OC)C(=O)O)C(=O)O)C