N-Acetyl-L-Tryptophyl-N-{(2S,3S,4S)-4-[(2S)-1-(N-Acetyl-L-Tryptophyl-L-Valyl)-2-Pyrrolidinyl]-3,4-Dihydroxy-1-Phenyl-2-Butanyl}-L-Valinamide

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Properties Simple | Detailed

Formula C50H64N8O8
IUPAC Name (2s)-2-[[(2s)-2-acetamido-3-(1h-indol-3-yl)propanoyl]amino]-n-[(1s,2s,3s)-3-[(2s)-1-[(2s)-2-[[(2s)-2-acetamido-3-(1h-indol-3-yl)propanoyl]amino]-3-methyl-butanoyl]pyrrolidin-2-yl]-1-benzyl-2,3-dihydroxy-propyl]-3-methyl-butanamide
Molecular Mass 905.092 g·mol−1
Heat of Formation -1322.5 ± 16.7 kJ·mol−1
Dipole Moment 7.46 ± 1.08 D
Volume 1134.91 Å 3
Surface Area 798.46 Å 2
HOMO Energy -8.39 ± 0.55 eV
LUMO Energy -0.02 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[(2s)-2-acetamido-3-(1h-indol-3-yl)-1-oxopropyl]amino]-n-[(1s,2s,3s)-3-[(2s)-1-[(2s)-2-[[(2s)-2-acetamido-3-(1h-indol-3-yl)-1-oxopropyl]amino]-3-methyl-1-oxobutyl]-2-pyrrolidinyl]-2,3-dihydroxy-1-(phenylmethyl)propyl]-3-methylbutanamide
  • (2s)-2-[[(2s)-2-acetamido-3-(1h-indol-3-yl)propanoyl]amino]-n-[(1s,2s,3s)-3-[(2s)-1-[(2s)-2-[[(2s)-2-acetamido-3-(1h-indol-3-yl)propanoyl]amino]-3-methyl-butanoyl]pyrrolidin-2-yl]-1-(benzyl)-2,3-dihydroxy-propyl]-3-methyl-butyramide
  • (2s)-2-[[(2s)-2-acetamido-3-(1h-indol-3-yl)propanoyl]amino]-n-[(1s,2s,3s)-3-[(2s)-1-[(2s)-2-[[(2s)-2-acetamido-3-(1h-indol-3-yl)propanoyl]amino]-3-methyl-butanoyl]pyrrolidin-2-yl]-2,3-dihydroxy-1-(phenylmethyl)propyl]-3-methyl-butanamide
  • (2s)-2-[[(2s)-2-acetamido-3-(1h-indol-3-yl)propanoyl]amino]-n-[(2s,3s,4s)-4-[(2s)-1-[(2s)-2-[[(2s)-2-acetamido-3-(1h-indol-3-yl)propanoyl]amino]-3-methyl-butanoyl]pyrrolidin-2-yl]-3,4-dihydroxy-1-phenyl-butan-2-yl]-3-methyl-butanamide
  • (2s)-2-[[(2s)-2-acetamido-3-(1h-indol-3-yl)propanoyl]amino]-n-[(2s,3s,4s)-4-[(2s)-1-[(2s)-2-[[(2s)-2-acetamido-3-(1h-indol-3-yl)propanoyl]amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3,4-dihydroxy-1-phenylbutan-2-yl]-3-methylbutanamide
  • n-acetyltryptophyl-n~1~-{3-[1-(n-acetyltryptophylvalyl)pyrrolidin-2-yl]-1-benzyl-2,3-dihydroxypropyl}valinamide
InChIKey BDIYLIYACVEIHS-QVWIHFFISA-N
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