AC1MIIS7

(2S,5R,6R)-6-[[3-carboxy-3-(4-propan-2-yloxyphenyl)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-(1-methylethoxy)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-[(propan-2-yl)oxy]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-4-oxo-3-(4-propan-2-yloxyphenyl)butanoyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid|6-[(3-Carboxy-1-hydroxy-3-{4-[(propan-2-yl)oxy]phenyl}propylidene)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Molecular Formula	C21H26N2O7S
Molecular Weight	450.14606 g/mol
LogP	1.6638
Topological Polar Surface Area	133.24 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	6
Rotatable Bonds	8
Exact Mass	450.14606
Monoisotopic Mass	450.14606
Heavy Atoms	31
Complexity	899.49426

Chemical Identifiers

CAS Number	60947-80-0
SMILES	CC(C)OC1=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