N-[(2S)-4-Methyl-2-(Sulfanylmethyl)Pentanoyl]-L-Phenylalanyl-L-Alaninamide

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Properties Simple | Detailed

Formula C19H29N3O3S
IUPAC Name (2s)-n-[(1s)-2-[[(1s)-2-amino-1-methyl-2-oxo-ethyl]amino]-1-benzyl-2-oxo-ethyl]-4-methyl-2-(sulfanylmethyl)pentanamide
Molecular Mass 379.517 g·mol−1
Heat of Formation -624.8 ± 16.7 kJ·mol−1
Dipole Moment 3.83 ± 1.08 D
Volume 489.71 Å 3
Surface Area 382.91 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy -0.15 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-n-[(1s)-2-[[(1s)-2-amino-1-methyl-2-oxo-ethyl]amino]-2-oxo-1-(phenylmethyl)ethyl]-4-methyl-2-(sulfanylmethyl)pentanamide
  • (2s)-n-[(1s)-2-[[(1s)-2-amino-1-methyl-2-oxoethyl]amino]-2-oxo-1-(phenylmethyl)ethyl]-2-(mercaptomethyl)-4-methylpentanamide
  • (2s)-n-[(1s)-2-[[(1s)-2-amino-2-keto-1-methyl-ethyl]amino]-1-(benzyl)-2-keto-ethyl]-2-(mercaptomethyl)-4-methyl-valeramide
  • (2s)-n-[(2s)-1-[[(2s)-1-amino-1-oxo-propan-2-yl]amino]-1-oxo-3-phenyl-propan-2-yl]-4-methyl-2-(sulfanylmethyl)pentanamide
  • (s)-n-(2-(mercaptomethyl)-4-methyl-1-oxopentyl)-l-phenylalanyl-l-alaninamide
  • hs-leu-phe-ala-nh2
  • hs-leucyl-phenylalanyl-alaninamide
  • l-alaninamide, n-(2-(mercaptomethyl)-4-methyl-1-oxopentyl)-l-phenylalanyl-, (s)-
CAS Number(s)
  • 120020-30-6
InChIKey LWDXOPIGTGCEOA-IMJJTQAJSA-N
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