N~5~-(Diaminomethylene)-N~2~-{[5-(Dimethylamino)-1-Naphthyl]Sulfonyl}-L-Ornithyl-L-Phenylalaninamide

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Properties Simple | Detailed

Formula C27H35N7O4S
IUPAC Name (2s)-n-[(1s)-2-amino-1-benzyl-2-oxo-ethyl]-2-[[5-(dimethylamino)-1-naphthyl]sulfonylamino]-5-guanidino-pentanamide
Molecular Mass 553.676 g·mol−1
Heat of Formation -429.9 ± 16.7 kJ·mol−1
Dipole Moment 5.92 ± 1.08 D
Volume 684.01 Å 3
Surface Area 495.6 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy -0.75 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-n-[(1s)-2-amino-1-(benzyl)-2-keto-ethyl]-2-[(5-dimethylamino-1-naphthyl)sulfonylamino]-5-guanidino-valeramide
  • (2s)-n-[(1s)-2-amino-2-oxo-1-(phenylmethyl)ethyl]-2-[(5-dimethylamino-1-naphthyl)sulfonylamino]-5-guanidino-pentanamide
  • (2s)-n-[(1s)-2-amino-2-oxo-1-(phenylmethyl)ethyl]-2-[(5-dimethylamino-1-naphthyl)sulfonylamino]-5-guanidinopentanamide
  • (2s)-n-[(2s)-1-amino-1-oxo-3-phenyl-propan-2-yl]-5-(diaminomethylideneamino)-2-[(5-dimethylaminonaphthalen-1-yl)sulfonylamino]pentanamide
  • dansyl-arg-phe-nh2
  • dansyl-arginyl-phenylalaninamide
  • dansyl-tfa
  • dns-rfa
  • l-phenylalaninamide, n2-((5-dimethylamino)-1-naphthalenyl)sulfonyl)-l-arginyl-
CAS Number(s)
  • 122061-69-2
InChIKey FIRAIPQYHFPMIJ-VXKWHMMOSA-N
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