Sulopenem

(5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[(3S)-1-oxothiolan-3-yl]sulfanyl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Also Known As: Sulopenem|Scandium phosphide|Sulopenem [USAN:INN]|P-Sc|Scandium phosphide (ScP)|EINECS 235-381-4|CP 70,429|CP-65207-S|CP-70,429|(5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[(3S)-1-oxothiolan-3-yl]sulfanyl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid|(5R,6S)-6-((1R)-1-Hydroxyethyl)-7-oxo-3-(((3S)-tetrahydro-3-thienyl)thio)-4-thia-1-azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, (R)-S-oxide|(5R,6S)-6-((R)-1-hydroxyethyl)-3-(((3S)-1-oxidotetrahydrothiophen-3-yl)thio)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid|(3S)-3-{[(5R,6S)-2-carboxy-6-[(1R)-1-hydroxyethyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-en-3-yl]sulfanyl}thiolan-1-ium-1-olate|(S)-3-[[(5R)-2-Carboxy-6beta-[(R)-1-hydroxyethyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-en-3-yl]thio]tetrahydrothiophene 1-oxide|4-Thia-1-azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 6-(1-hydroxyethyl)-7-oxo-3-((tetrahydro-3-thienyl)thio)-, S-oxide, (5R-(3(1R*,3S*),5alpha,6alpha(R*)))-|PSC

Molecular Formula	C12H15NO5S3
Molecular Weight	349.01123 g/mol
LogP	0.4064
Topological Polar Surface Area	94.91 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	6
Rotatable Bonds	4
Exact Mass	349.01123
Monoisotopic Mass	349.01123
Heavy Atoms	21
Complexity	561.0961

Chemical Identifiers

CAS Number	184159-40-8
SMILES	C[C@H]([C@@H]1[C@@H]2N(C1=O)C(=C(S2)S[C@H]3CCS(=O)C3)C(=O)O)O