Search Result : Detailed Informations

Low Mol Weight Allergen Name CAS# CID
(2S,5R,6R)-6-[[(2R)-2-Azaniumyl-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 69-52-3 7048611

Structure Other Information
Canonical SMILES CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)[NH3+])C(=O)[O-])C
Iso SMILES CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)[NH3+])C(=O)[O-])C
InChI InChI=1S/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23)/t9-,10-,11+,14-/m1/s1
InChI Key AVKUERGKIZMTKX-NJBDSQKTSA-N
Formula C16H19N3O4S
Mol Weight 349.405
XlogP3 -0.5
Charge 0

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Synonyms Information
CAS Name (2S,5R,6R)-6-[[(2R)-2-ammonio-1-oxo-2-phenylethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
IUPAC Name (2S,5R,6R)-6-[[(2R)-2-azaniumyl-2-phenyl-acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Openeye Name (2S,5R,6R)-6-[[(2R)-2-azaniumyl-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Systematic Name (2S,5R,6R)-6-[[(2R)-2-azaniumyl-2-phenyl-ethanoyl]amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Tratitional Name (2S,5R,6R)-6-[[(2R)-2-azaniumyl-2-phenyl-ethanoyl]amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate