Prototapen

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

Also Known As: Prototapen|KST-1A8518|4,4'-Carbonimidoylbis[N,N-dimethylaniline] nitrate|(2s,5r,6r)-6-{[amino(phenyl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid- 4-(dipropylsulfamoyl)benzoic acid(1:1)|Benzenamine, 4,4'-carbonimidoylbis(N,N-dimethyl-, mononitrate|Benzenamine, 4,4'-carbonimidoylbis[N,N-dimethyl-, mononitrate|Benzenamine, 4,4'-carbonimidoylbis(N,N-dimethyl-, nitrate (1:1)|Benzeneamine, 4,4'-carbonimidoyl, bis(N,N-dimethyl)-, mononitrate|4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-((aminophenylacetyl)amino)-3,3-dimethyl-7-oxo-, (2S-(2alpha,5alpha,6beta(S*)))-, mixt. with 4-((dipropylamino)sulfonyl)benzoic acid|(2S,5R,6R)-6-[(2-Amino-1-hydroxy-2-phenylethylidene)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid--4-(dipropylsulfamoyl)benzoic acid (1/1)|(2S,5R,6R)-6-[(2-amino-2-phenylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; 4-(dipropylsulfamoyl)benzoic acid|4-(Dipropylsulfamoyl)benzoic acid--6-[(2-amino-1-hydroxy-2-phenylethylidene)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (1/1)

Molecular Formula	C29H38N4O8S2
Molecular Weight	634.21313 g/mol
LogP	2.5136
Topological Polar Surface Area	221.0 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	11
Rotatable Bonds	11
Exact Mass	634.21313
Monoisotopic Mass	634.21313
Heavy Atoms	43
Complexity	935.0

Chemical Identifiers

CAS Number	84255-15-2
SMILES	CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)O.CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)O)C
InChIKey	HIPBWZZGQFEBCC-GJUCOGTPSA-N