Pirbenicillin

(2S,5R,6R)-6-[[(2R)-2-[[2-[[amino(pyridin-4-yl)methylidene]amino]acetyl]amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Also Known As: Pirbenicillin|pirbenicilina|pirbenicilline|pirbenicillinum|Pirbenicillin [INN]|CP-33,994|CP-33,994-2|(2S,5R,6R)-6-[[(2R)-2-[[2-[[amino(pyridin-4-yl)methylidene]amino]acetyl]amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid|6-(D-2-Phenyl-2-(N-4-pyridylformimidyl aminoacetamido)acetamido)penicillanic acid|(2R)-2-[[Imino(4-pyridyl)methylamino]acetylamino]-N-[(2S,5R,6R)-2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]-2-phenylacetamide|(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2R)-2-phenyl-2-{2-[(pyridin-4-yl)methanimidamido]acetamido}acetamido]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid|(2S,5R,6R)-6-(((2R)-2-((2-((amino(pyridin-4-yl)methylidene)amino)acetyl)amino)-2-phenylacetyl)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid|(2S,5R,6R)-6-[[(2R)-2-[[2-[[amino(pyridin-4-yl)methylidene]amino]acetyl]amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid|(2S,5R,6R)-6-{[(2R)-2-({(Z)-N-[Amino(pyridin-4-yl)methylidene]glycyl}amino)-2-phenylacetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid|(6R)-6-[[(R)-Phenyl[[[(imino)(4-pyridinyl)methylamino]acetyl]amino]acetyl]amino]penicillanic acid|6-[[(1S)-2-[(2-aminoacetyl)amino]-2-oxo-1-phenylethyl]-(pyridine-4-carboximidoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Molecular Formula	C24H26N6O5S
Molecular Weight	510.16855 g/mol
LogP	0.2761
Topological Polar Surface Area	167.08 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	7
Rotatable Bonds	8
Exact Mass	510.16855
Monoisotopic Mass	510.16855
Heavy Atoms	36
Complexity	1205.9926

Chemical Identifiers

CAS Number	55975-92-3
SMILES	CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)NC(=O)CN=C(C4=CC=NC=C4)N)C(=O)O)C