N-[(2R)-2-Amino-3-Phenylpropanoyl]-1-{(1S)-1-Cyano-4-[(Diaminomethylene)Amino]Butyl}-L-Prolinamide

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Formula C20H29N7O2
IUPAC Name (1s,2s)-n-[(2r)-2-amino-3-phenyl-propanoyl]-1-[(1s)-1-cyano-4-guanidino-butyl]pyrrolidine-2-carboxamide
Molecular Mass 399.490 g·mol−1
Heat of Formation -149.4 ± 16.7 kJ·mol−1
Dipole Moment 7.25 ± 1.08 D
Volume 501.82 Å 3
Surface Area 387.16 Å 2
HOMO Energy -9.24 ± 0.55 eV
LUMO Energy -0.41 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-n-[(2r)-2-amino-1-oxo-3-phenylpropyl]-1-[(1s)-1-cyano-4-guanidinobutyl]-2-pyrrolidinecarboxamide
  • (2s)-n-[(2r)-2-amino-3-phenyl-propanoyl]-1-[(1s)-1-cyano-4-(diaminomethylideneamino)butyl]pyrrolidine-2-carboxamide
  • (2s)-n-[(2r)-2-amino-3-phenyl-propanoyl]-1-[(1s)-1-cyano-4-guanidino-butyl]pyrrolidine-2-carboxamide
  • (2s)-n-[(2r)-2-amino-3-phenylpropanoyl]-1-[(1s)-1-cyano-4-(diaminomethylideneamino)butyl]pyrrolidine-2-carboxamide
  • (s)-n-(4-((aminoiminomethyl)amino)-1-cyanobutyl)-d-phenylalanyl-l-prolinamide
  • d-phenylalanyl-l-prolyl-l-arginine nitrile
  • l-prolinamide, d-phenylalanyl-n-(4-((aminoiminomethyl)amino)-1-cyanobutyl)-, (s)-
  • l-prolinamide, n-(4-((aminoiminomethyl)amino)-1-cyanobutyl)-d-phenylalanyl-, (s)-
  • phenylalanyl-prolyl-arginine nitrile
CAS Number(s)
  • 111009-86-0
InChIKey KIJDUGBFUBCRNM-BBWFWOEESA-N
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