Apalcillin

(2S,5R)-3,3-dimethyl-7-oxo-6-[[(2R)-2-[(4-oxo-1H-1,5-naphthyridine-3-carbonyl)amino]-2-phenylacetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Also Known As: Apalcillin|apalcilina|Apalcilline|Apalcillinum|Apalcilina [INN-Spanish]|Apalcilline [INN-French]|Apalcillinum [INN-Latin]|H3O4P.1/2Mg.3/2Na|KST-1A7090|EINECS 264-686-5|H3-O4-P.1/2Mg.3/2Na|Magnesium trisodium hydrogen bis(phosphate)|Phosphoric acid, magnesium sodium salt (2:1:3)|(2s,5r)-3,3-dimethyl-7-oxo-6-{[(2r)-2-{[(4-oxo-1,4-dihydro-1,5-naphthyridin-3-yl)carbonyl]amino}-2-phenylacetyl]amino}-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid|sodium 6-(alpha-(4-hydroxy-1,5-naphthyridine-3-carboxamido)phenylacetamido)penicillanate|(2S,5R)-3,3-dimethyl-7-oxo-6-[[(2R)-2-[(4-oxo-1H-1,5-naphthyridine-3-carbonyl)amino]-2-phenylacetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid|(2S,5R,6R)-6-((R)-2-(4-Hydroxy-1,5-naphthyridin-3-carboxamido)-2-phenylacetamido)-3,3-dimethyl-7-oxo-5-thia-1-azabicyclo(3.2.0)heptan-2-carbonsaeure|(2S,5R,6R)-6-((R)-2-(4-Hydroxy-1,5-naphthyridin-3-carboxamido)-2-phenylacetamido)-3,3-dimethyl-7-oxo-5-thia-1-azabicyclo(3.2.0)heptan-2-carboxylic acid|(6R)-6-((R)-2-(4-Hydroxy-1,5-naphthyridin-3-carboxamido)-2-phenylacetamido)penicillansaeure|4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(((((4-hydroxy-1,5-naphthyridin-3-yl)carbonyl)amino)phenylacetyl)amino)-3,3-dimethyl-7-oxo-, (2S-(2-alpha,5-alpha,6-beta(S*)))-|4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(((2R)-(((4-hydroxy-1,5-naphthyridin-3-yl)carbonyl)amino)phenylacetyl)amino)-3,3-dimethyl-7-oxo-, (2S,5R,6R)-

Molecular Formula	C25H23N5O6S
Molecular Weight	521.1369 g/mol
LogP	1.03
Topological Polar Surface Area	161.56 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	7
Rotatable Bonds	6
Exact Mass	521.1369
Heavy Atoms	37
Complexity	1489.7

Chemical Identifiers

CAS Number	64131-06-2
SMILES	CC1([C@@H](N2[C@H](S1)C(C2=O)NC(=O)[C@@H](C3=CC=CC=C3)NC(=O)C4=CNC5=C(C4=O)N=CC=C5)C(=O)O)C