1-[(2S,3R)-3-Amino-2-Hydroxy-4-Phenylbutanoyl]-L-Prolyl-L-Prolyl-L-Alaninamide

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Properties Simple | Detailed

Formula C23H33N5O5
IUPAC Name (2s)-1-[(2s)-1-[(2s,3r)-3-amino-2-hydroxy-4-phenyl-butanoyl]pyrrolidine-2-carbonyl]-n-[(1s)-2-amino-1-methyl-2-oxo-ethyl]pyrrolidine-2-carboxamide
Molecular Mass 459.539 g·mol−1
Heat of Formation -874.3 ± 16.7 kJ·mol−1
Dipole Moment 6.26 ± 1.08 D
Volume 569.16 Å 3
Surface Area 457.84 Å 2
HOMO Energy -9.18 ± 0.55 eV
LUMO Energy 0.19 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-1-[(2s)-1-[(2s,3r)-3-amino-2-hydroxy-4-phenyl-butanoyl]pyrrolidin-2-yl]carbonyl-n-[(2s)-1-amino-1-oxo-propan-2-yl]pyrrolidine-2-carboxamide
  • (2s)-1-[(2s)-1-[(2s,3r)-3-amino-2-hydroxy-4-phenyl-butanoyl]pyrrolidine-2-carbonyl]-n-[(1s)-2-amino-1-methyl-2-oxo-ethyl]pyrrolidine-2-carboxamide
  • (2s)-1-[(2s)-1-[(2s,3r)-3-amino-2-hydroxy-4-phenyl-butanoyl]pyrrolidine-2-carbonyl]-n-[(1s)-2-amino-2-keto-1-methyl-ethyl]pyrrolidine-2-carboxamide
  • (2s)-1-[(2s)-1-[(2s,3r)-3-amino-2-hydroxy-4-phenylbutanoyl]pyrrolidine-2-carbonyl]-n-[(2s)-1-amino-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
  • (2s)-1-[[(2s)-1-[(2s,3r)-3-amino-2-hydroxy-1-oxo-4-phenylbutyl]-2-pyrrolidinyl]-oxomethyl]-n-[(1s)-2-amino-1-methyl-2-oxoethyl]-2-pyrrolidinecarboxamide
  • apstatin
  • atn
  • n-[(2s,3r)-3-amino-2-hydroxy-4-phenyl-butanoyl]-l-prolyl-l-prolyl-l-alaninamide
InChIKey YVUUZAPYLPWFHE-HXFGRODQSA-N
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