AC1MIISB

(2S,5R,6R)-6-[[3-carboxy-3-[4-(2-methylpropoxy)phenyl]propanoyl]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-3-(4-(2-methylpropoxy)phenyl)-1-oxopropyl)amino)-3,3-dimethyl-7-oxo-, (2S-(2-alpha,5-alpha,6-beta))-|(2S,5R,6R)-6-({3-Carboxy-1-hydroxy-3-[4-(2-methylpropoxy)phenyl]propylidene}amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid|(2S,5R,6R)-6-[[4-hydroxy-3-[4-(2-methylpropoxy)phenyl]-4-oxobutanoyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid|6-({3-Carboxy-1-hydroxy-3-[4-(2-methylpropoxy)phenyl]propylidene}amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Molecular Formula	C22H28N2O7S
Molecular Weight	464.1617 g/mol
LogP	1.9114
Topological Polar Surface Area	133.24 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	6
Rotatable Bonds	9
Exact Mass	464.1617
Monoisotopic Mass	464.1617
Heavy Atoms	32
Complexity	915.3593

Chemical Identifiers

CAS Number	60947-82-2
SMILES	CC(C)COC1=CC=C(C=C1)C(CC(=O)N[C@H]2[C@@H]3N(C2=O)[C@H](C(S3)(C)C)C(=O)O)C(=O)O