1-[(2S)-6-Amino-2-{[Hydroxy(4-Phenylbutyl)Phosphoryl]Oxy}Hexanoyl]-L-Proline

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Formula C21H33N2O6P
IUPAC Name (2s)-1-[(2s)-6-amino-2-[hydroxy(4-phenylbutyl)phosphoryl]oxy-hexanoyl]pyrrolidine-2-carboxylic acid
Molecular Mass 440.470 g·mol−1
Heat of Formation -1385.9 ± 16.7 kJ·mol−1
Dipole Moment 9.15 ± 1.08 D
Volume 539.73 Å 3
Surface Area 406.52 Å 2
HOMO Energy -9.45 ± 0.55 eV
LUMO Energy -0.22 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-1-[(2s)-6-amino-2-(hydroxy-(4-phenylbutyl)phosphoryl)oxy-1-oxohexyl]-2-pyrrolidinecarboxylic acid
  • (2s)-1-[(2s)-6-amino-2-(hydroxy-(4-phenylbutyl)phosphoryl)oxy-hexanoyl]proline
  • (2s)-1-[(2s)-6-amino-2-(hydroxy-(4-phenylbutyl)phosphoryl)oxy-hexanoyl]pyrrolidine-2-carboxylic acid
  • (2s)-1-[(2s)-6-amino-2-(hydroxy-(4-phenylbutyl)phosphoryl)oxyhexanoyl]pyrrolidine-2-carboxylic acid
  • ceronapril (usan)
  • d03440
  • novopril
  • sq-29852
CAS Number(s)
  • 120122-26-1
InChIKey IFYLTXNCFVRALQ-OALUTQOASA-N
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