AC1MIIWD

(2S,5R,6R)-6-[[3-carboxy-3-(4-ethoxyphenyl)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-ethoxyphenyl)-1-oxopropyl)amino)-3,3-dimethyl-7-oxo-, (2S-(2-alpha,5-alpha,6-beta))-|(2S,5R,6R)-6-[[3-(4-ethoxyphenyl)-4-hydroxy-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-3-(4-ethoxyphenyl)-1-hydroxypropylidene]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid|6-{[3-Carboxy-3-(4-ethoxyphenyl)-1-hydroxypropylidene]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	1.2753
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	60975-30-6
SMILES	CCOC1=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