Bacbenzylpenicillin

1-ethoxycarbonyloxyethyl (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Also Known As: Bacbenzylpenicillin|KST-1B4277|benzylpenicillin 1'-[(ethoxycarbonyl)oxy]ethyl ester|1'-ethoxycarbonyloxyethyl 6|A-phenylacetamidopenicillanate|1-[(ethoxycarbonyl)oxy]ethyl(2s,5r,6r)-3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate|(2S,5R,6R)-3,3-Dimethyl-7-oxo-6-phenylacetylamino-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 1-(ethoxycarbonyloxy)ethyl ester|1-[(ethoxycarbonyl)oxy]ethyl (2S,5R,6R)-3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate|1-ethoxycarbonyloxyethyl (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate|4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-((phenylacetyl)amino)- (2S-(2alpha,5alpha,6beta))-, 1-((ethoxycarbonyl)oxy)ethyl ester|4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-((phenylacetyl)amino)-(2S-(2alpha,5alpha,6beta))-, 1-((ethoxycarbonyl)oxy)ethyl ester|4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]- [2S-(2.alpha.,5.alpha.,6.beta.)]-, 1-[(ethoxycarbonyl)oxy]ethyl ester|4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid, 3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]- (2S,5R,6R)-,1-[(ethoxycarbonyl)oxy]ethyl ester (9CI)|N-[(2S,5R,6R)-2-({1-[(Ethoxycarbonyl)oxy]ethoxy}carbonyl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptan-6-yl](phenyl)ethanimidic acid|N-[2-({1-[(Ethoxycarbonyl)oxy]ethoxy}carbonyl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]-2-phenylethanimidic acid

Molecular Formula	C21H26N2O7S
Molecular Weight	450.14606 g/mol
LogP	3.3
Topological Polar Surface Area	137.0 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	8
Rotatable Bonds	10
Exact Mass	450.14606
Monoisotopic Mass	450.14606
Heavy Atoms	31
Complexity	723.0

Chemical Identifiers

CAS Number	37660-97-2
SMILES	CCOC(=O)OC(C)OC(=O)[C@H]1C(S[C@H]2N1C(=O)[C@H]2NC(=O)CC3=CC=CC=C3)(C)C
InChIKey	LLOPNXSHSVOOOI-NZHQHIMKSA-N