N-{[5-(Dimethylamino)-1-Naphthyl]Sulfonyl}-L-Alanyl-N-({(2S)-1-[(3S)-1,1,1-Trifluoro-4-Methyl-2-Oxo-3-Pentanyl]-2-Pyrrolidinyl}Carbonyl)-L-Alaninamide

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Properties Simple | Detailed

Formula C29H38F3N5O6S
IUPAC Name (1s,2s)-n-[(2s)-2-[[(2s)-2-[[5-(dimethylamino)-1-naphthyl]sulfonylamino]propanoyl]amino]propanoyl]-1-[(1s)-3,3,3-trifluoro-1-isopropyl-2-oxo-propyl]pyrrolidine-2-carboxamide
Molecular Mass 641.702 g·mol−1
Heat of Formation -1577.5 ± 16.7 kJ·mol−1
Dipole Moment 8.39 ± 1.08 D
Volume 772.43 Å 3
Surface Area 509.11 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy -0.99 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-n-[(2s)-2-[[(2s)-2-[(5-dimethylamino-1-naphthyl)sulfonylamino]-1-oxopropyl]amino]-1-oxopropyl]-1-[(1s)-3,3,3-trifluoro-1-isopropyl-2-oxopropyl]-2-pyrrolidinecarboxamide
  • (2s)-n-[(2s)-2-[[(2s)-2-[(5-dimethylamino-1-naphthyl)sulfonylamino]propanoyl]amino]propanoyl]-1-[(1s)-3,3,3-trifluoro-1-isopropyl-2-keto-propyl]pyrrolidine-2-carboxamide
  • (2s)-n-[(2s)-2-[[(2s)-2-[(5-dimethylamino-1-naphthyl)sulfonylamino]propanoyl]amino]propanoyl]-1-[(1s)-3,3,3-trifluoro-1-isopropyl-2-oxo-propyl]pyrrolidine-2-carboxamide
  • (2s)-n-[(2s)-2-[[(2s)-2-[(5-dimethylaminonaphthalen-1-yl)sulfonylamino]propanoyl]amino]propanoyl]-1-[(3s)-1,1,1-trifluoro-4-methyl-2-oxo-pentan-3-yl]pyrrolidine-2-carboxamide
  • dansyl-ala-ala-pro-val-cf3
  • l-prolinamide, n-((5-(dimethylamino)-1-naphthalenyl)sulfonyl)-l-alanyl-l-alanyl-n-(3,3,3-trifluoro-1-(1-methylethyl)-2-oxopropyl)-, (s)-
  • mdl 27,324
  • mdl 27324
CAS Number(s)
  • 123285-50-7
InChIKey VYBNKZKFRCAZLU-OVFSYLBISA-N
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