D-Phenylalanyl-N-{(2R,3S)-6-[(Diaminomethylene)Amino]-2-Hydroxy-3-Hexanyl}-L-Prolinamide

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Properties Simple | Detailed

Formula C21H34N6O3
IUPAC Name (2s)-1-[(2r)-2-amino-3-phenyl-propanoyl]-n-[(1s)-4-guanidino-1-[(1r)-1-hydroxyethyl]butyl]pyrrolidine-2-carboxamide
Molecular Mass 418.533 g·mol−1
Heat of Formation -488.8 ± 16.7 kJ·mol−1
Dipole Moment 6.29 ± 1.08 D
Volume 539.55 Å 3
Surface Area 446.05 Å 2
HOMO Energy -9.14 ± 0.55 eV
LUMO Energy 0.06 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-1-[(2r)-2-amino-3-phenyl-propanoyl]-n-[(2r,3s)-6-(diaminomethylideneamino)-2-hydroxy-hexan-3-yl]pyrrolidine-2-carboxamide
  • (2s)-1-[(2r)-2-amino-3-phenylpropanoyl]-n-[(2r,3s)-6-(diaminomethylideneamino)-2-hydroxyhexan-3-yl]pyrrolidine-2-carboxamide
  • dpn-pro-arm
  • dpn-pro-mai
InChIKey YKABSBOIBVOPTK-BGTYHANMSA-N
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