N-Methyl-D-Phenylalanyl-N-[(2S)-5-Carbamimidamido-1-Oxopentan-2-Yl]-L-Prolinamide

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Properties Simple | Detailed

Formula C21H32N6O3
IUPAC Name (2s)-n-[(1s)-1-formyl-4-guanidino-butyl]-1-[(2r)-2-(methylamino)-3-phenyl-propanoyl]pyrrolidine-2-carboxamide
Molecular Mass 416.517 g·mol−1
Heat of Formation -468.7 ± 16.7 kJ·mol−1
Dipole Moment 6.54 ± 1.08 D
Volume 524.39 Å 3
Surface Area 385.04 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy -0.17 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-n-[(1s)-1-formyl-4-guanidino-butyl]-1-[(2r)-2-methylamino-3-phenyl-propanoyl]pyrrolidine-2-carboxamide
  • (2s)-n-[(1s)-1-formyl-4-guanidinobutyl]-1-[(2r)-2-methylamino-1-oxo-3-phenylpropyl]-2-pyrrolidinecarboxamide
  • (2s)-n-[(2s)-5-(diaminomethylideneamino)-1-oxo-pentan-2-yl]-1-[(2r)-2-methylamino-3-phenyl-propanoyl]pyrrolidine-2-carboxamide
  • (2s)-n-[(2s)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(2r)-2-methylamino-3-phenylpropanoyl]pyrrolidine-2-carboxamide
  • efegatran
  • l-prolinamide, n-methyl-d-phenylalanyl-n-(4-((aminoiminomethyl)amino)-1-formylbutyl)-, (s)-
  • ly 294468
InChIKey KAGLWQUWUNBAOO-KSZLIROESA-N
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