N-Acetyl-3-(1-Naphthyl)-L-Alanyl-N-[(3S,4S)-1-{[(2S)-1-{[(2S)-1-Amino-3-(1-Naphthyl)-1-Oxo-2-Propanyl]Amino}-1-Oxo-2-Butanyl]Amino}-3-Hydroxy-6-Methyl-1-Oxo-4-Heptanyl]-L-Valinamide

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Properties Simple | Detailed

Formula C45H58N6O7
IUPAC Name (3s,4s)-4-[[(2s)-2-[[(2s)-2-acetamido-3-(1-naphthyl)propanoyl]amino]-3-methyl-butanoyl]amino]-n-[(1s)-1-[[(1s)-2-amino-1-(1-naphthylmethyl)-2-oxo-ethyl]carbamoyl]propyl]-3-hydroxy-6-methyl-heptanamide
Molecular Mass 794.978 g·mol−1
Heat of Formation -1311.3 ± 16.7 kJ·mol−1
Dipole Moment 2.84 ± 1.08 D
Volume 1016.11 Å 3
Surface Area 738.96 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy -0.75 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,4s)-4-[[(2s)-2-[[(2s)-2-acetamido-3-(1-naphthyl)-1-oxopropyl]amino]-3-methyl-1-oxobutyl]amino]-n-[(1s)-1-[[[(1s)-2-amino-1-(1-naphthylmethyl)-2-oxoethyl]amino]-oxomethyl]propyl]-3-hydroxy-6-methylheptanamide
  • (3s,4s)-4-[[(2s)-2-[[(2s)-2-acetamido-3-(1-naphthyl)propanoyl]amino]-3-methyl-butanoyl]amino]-n-[(1s)-1-[[(1s)-2-amino-1-(1-naphthylmethyl)-2-oxo-ethyl]carbamoyl]propyl]-3-hydroxy-6-methyl-heptanamide
  • (3s,4s)-4-[[(2s)-2-[[(2s)-2-acetamido-3-(1-naphthyl)propanoyl]amino]-3-methyl-butanoyl]amino]-n-[(1s)-1-[[(1s)-2-amino-2-keto-1-(1-naphthylmethyl)ethyl]carbamoyl]propyl]-3-hydroxy-6-methyl-enanthamide
  • (3s,4s)-4-[[(2s)-2-[[(2s)-2-acetamido-3-naphthalen-1-yl-propanoyl]amino]-3-methyl-butanoyl]amino]-n-[(2s)-1-[[(2s)-1-amino-3-naphthalen-1-yl-1-oxo-propan-2-yl]amino]-1-oxo-butan-2-yl]-3-hydroxy-6-methyl-heptanamide
  • (3s,4s)-4-[[(2s)-2-[[(2s)-2-acetamido-3-naphthalen-1-ylpropanoyl]amino]-3-methylbutanoyl]amino]-n-[(2s)-1-[[(2s)-1-amino-3-naphthalen-1-yl-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]-3-hydroxy-6-methylheptanamide
  • 1ni
  • 4-[2-(2-acetylamino-3-naphtalen-1-yl-propionylamino)-4-methyl-pentanoylamino]-3-hydroxy-6-methyl-heptanoic acid [1-(1-carbamoyl-2-naphthalen-1-yl-ethylcarbamoyl)-propyl]-amide
  • 4-[2-(2-acetylamino-3-naphthalen-1-yl-propionylamino)-3-methyl-butyrylamino]-3-hydroxy-6-methyl-heptanoic acid [1-(1-carbamoyl-2-naphthalen-1-yl-ethylcarbamoyl)-propyl]-amide
  • lp1
  • n2-[[[3-naphtyl-n-methylcarbonyl-alaninyl-valinyl]-amino-[1-[2-methyl-propanyl]-2-hydroxy-propan-3-yl]-carbonyl]-3-methyl-alanyl]-3-naphtyl-alanyl-amine
InChIKey ACPDNLLISIAERE-ZYWZKTPASA-N
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