AC1MIISL

(2S,5R,6R)-6-[[4-(4-butoxyphenyl)-3-carboxybutanoyl]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-((4-(4-butoxyphenyl)-3-carboxy-1-oxobutyl)amino)-3,3-dimethyl-7-oxo-, (2S-(2-alpha,5-alpha,6-beta))-|(2S,5R,6R)-6-[[3-[(4-butoxyphenyl)methyl]-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-{[4-(4-Butoxyphenyl)-3-carboxy-1-hydroxybutylidene]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid|6-{[4-(4-Butoxyphenyl)-3-carboxy-1-hydroxybutylidene]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Molecular Formula	C23H30N2O7S
Molecular Weight	478.17737 g/mol
LogP	2.1306
Topological Polar Surface Area	133.24 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	6
Rotatable Bonds	11
Exact Mass	478.17737
Monoisotopic Mass	478.17737
Heavy Atoms	33
Complexity	917.8899

Chemical Identifiers

CAS Number	60947-87-7
SMILES	CCCCOC1=CC=C(C=C1)CC(CC(=O)N[C@H]2[C@@H]3N(C2=O)[C@H](C(S3)(C)C)C(=O)O)C(=O)O