N-{(2S)-5-[(Diaminomethylene)Amino]-1-Oxo-2-Pentanyl}-1-(3-Phenylpropanoyl)-L-Prolinamide

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Properties Simple | Detailed

Formula C20H29N5O3
IUPAC Name (2s)-n-[(1s)-1-formyl-4-guanidino-butyl]-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide
Molecular Mass 387.476 g·mol−1
Heat of Formation -443.9 ± 16.7 kJ·mol−1
Dipole Moment 7.30 ± 1.08 D
Volume 493.57 Å 3
Surface Area 398.41 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy 0.06 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-n-[(1s)-1-formyl-4-guanidino-butyl]-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide
  • (2s)-n-[(1s)-1-formyl-4-guanidinobutyl]-1-(1-oxo-3-phenylpropyl)-2-pyrrolidinecarboxamide
  • (2s)-n-[(2s)-5-(diaminomethylideneamino)-1-oxo-pentan-2-yl]-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide
  • (2s)-n-[(2s)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide
InChIKey PDRFBDVEPYLJLZ-IRXDYDNUSA-N
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