N-(Sulfanylmethyl)-L-Phenylalanyl-N-(4-Methylpentanoyl)-L-Alaninamide

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Properties Simple | Detailed

Formula C19H29N3O3S
IUPAC Name 4-methyl-n-[(2s)-2-[[(2s)-3-phenyl-2-(sulfanylmethylamino)propanoyl]amino]propanoyl]pentanamide
Molecular Mass 379.517 g·mol−1
Heat of Formation -539.3 ± 16.7 kJ·mol−1
Dipole Moment 4.65 ± 1.08 D
Volume 490.05 Å 3
Surface Area 414.46 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy -0.28 ± eV
Point Group Symmetry C1
Synonyms
  • mercaptomethyl-4-methylpentanoyl-phenylalanylalaninamide
  • mmmp-phe-alanh2
  • n-[(2s)-2-[[(2s)-2-(mercaptomethylamino)-1-oxo-3-phenylpropyl]amino]-1-oxopropyl]-4-methylpentanamide
  • n-[(2s)-2-[[(2s)-2-(mercaptomethylamino)-3-phenyl-propanoyl]amino]propanoyl]-4-methyl-valeramide
CAS Number(s)
  • 119935-96-5
InChIKey FPKFWAJQYCQTJT-HOCLYGCPSA-N
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