Molecules/N-[(2S,4S,6R)-2-(Dihydroxymethyl)-4-hydroxy-3,3-dimethyl-7-oxo-4lambda~4~-thia-1-azabicyclo[3.2.0]hept-6-YL]-2-phenylac etamide
N-[(2S,4S,6R)-2-(Dihydroxymethyl)-4-hydroxy-3,3-dimethyl-7-oxo-4lambda~4~-thia-1-azabicyclo[3.2.0]hept-6-YL]-2-phenylac etamide
(2S,4S,5R,6R)-3,3-dimethyl-4,7-dioxo-6-[(2-phenylacetyl)amino]-4lambda4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Molecular Identity
N-[(2S,4S,6R)-2-(Dihydroxymethyl)-4-hydroxy-3,3-dimethyl-7-oxo-4lambda~4~-thia-1-azabicyclo[3.2.0]hept-6-YL]-2-phenylac etamide
(2S,4S,5R,6R)-3,3-dimethyl-4,7-dioxo-6-[(2-phenylacetyl)amino]-4lambda4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
PubChem CID: 9543435
2D Structure
Properties
C16H18N2O5S
Molecular Formula
350.40
Molecular Weight
g/mol
350.0936
Exact Mass
Da
0.7
XLogP
Drug-like (Lipinski: < 5)
123
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
6
H-Bond Acceptors
599
Complexity
SMILES
Canonical SMILES
SMILES: CC1(C(N2C(S1=O)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)CIsomeric SMILES
SMILES: CC1([C@@H](N2[C@H]([S@]1=O)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)CSynonyms(5)
N-[(2S,4S,6R)-2-(DIHYDROXYMETHYL)-4-HYDROXY-3,3-DIMETHYL-7-OXO-4LAMBDA~4~-THIA-1-AZABICYCLO[3.2.0]HEPT-6-YL]-2-PHENYLAC ETAMIDESOXFCZNNHHXCFARDY-RRJWCGLDSA-N1-oxo-6-(2-phenylacetylamino)-1-penicillanic acid(1S, 3S, 5R, 6R)-2,2-dimethyl-6-phenylacetamidopenam-3-carboxylic acid 1-oxide
Data from PubChem (NCBI)
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Molecular Structure
N-[(2S,4S,6R)-2-(Dihydroxymethyl)-4-hydroxy-3,3-dimethyl-7-oxo-4lambda~4~-thia-1-azabicyclo[3.2.0]hept-6-YL]-2-phenylac etamide
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Drug Network
Trials and conditions connected to N-[(2S,4S,6R)-2-(Dihydroxymethyl)-4-hydroxy-3,3-dimethyl-7-oxo-4lambda~4~-thia-1-azabicyclo[3.2.0]hept-6-YL]-2-phenylac etamide
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