(2R,4S)-2-[(1R)-1-{[(2R)-2-Amino-2-Phenylacetyl]Amino}-2-Oxoethyl]-5,5-Dimethyl-1,3-Thiazolidine-4-Carboxylic Acid

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Properties Simple | Detailed

Formula C16H21N3O4S
IUPAC Name (2r,4s)-2-[(1r)-1-[[(2r)-2-amino-2-phenyl-acetyl]amino]-2-oxo-ethyl]-5,5-dimethyl-thiazolidine-4-carboxylic acid
Molecular Mass 351.421 g·mol−1
Heat of Formation -587.9 ± 16.7 kJ·mol−1
Dipole Moment 4.39 ± 1.08 D
Volume 414.27 Å 3
Surface Area 344.27 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy 2.54 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,4s)-2-[(1r)-1-[[(2r)-2-amino-1-oxo-2-phenylethyl]amino]-2-oxoethyl]-5,5-dimethyl-4-thiazolidinecarboxylic acid
  • (2r,4s)-2-[(1r)-1-[[(2r)-2-amino-2-phenyl-acetyl]amino]-2-keto-ethyl]-5,5-dimethyl-thiazolidine-4-carboxylic acid
  • (2r,4s)-2-[(1r)-1-[[(2r)-2-amino-2-phenyl-acetyl]amino]-2-oxo-ethyl]-5,5-dimethyl-thiazolidine-4-carboxylic acid
  • (2r,4s)-2-[(1r)-1-[[(2r)-2-amino-2-phenyl-ethanoyl]amino]-2-oxo-ethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
  • (2r,4s)-2-[(1r)-1-[[(2r)-2-amino-2-phenylacetyl]amino]-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
  • (2s,5r,6r)-6-{[(2r)-2-amino-2-phenylethanoyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • 6-[d(-)-alpha-aminophenyllacetamido]penicillanic acid
  • d(-)-alpha-aminobenzylpenicillin
InChIKey WHAIWIUXAXKSOT-NRWUCQMLSA-N
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