(2S)-2-Acetamido-N-[(2S,3S)-4-{2-[(2S)-2-Acetamido-3-Methylbutanoyl]-1-(Cyclohexylmethyl)Hydrazino}-3-Hydroxy-1-Phenyl-2-Butanyl]-3-Methylbutanamide

Molecule SVG Image

Properties Simple | Detailed

Formula C31H51N5O5
IUPAC Name (2s)-2-acetamido-n-[(1s,2s)-3-[[[(2s)-2-acetamido-3-methyl-butanoyl]amino]-(cyclohexylmethyl)amino]-1-benzyl-2-hydroxy-propyl]-3-methyl-butanamide
Molecular Mass 573.767 g·mol−1
Heat of Formation -1112.4 ± 16.7 kJ·mol−1
Dipole Moment 5.74 ± 1.08 D
Volume 763.43 Å 3
Surface Area 541.45 Å 2
HOMO Energy -9.09 ± 0.55 eV
LUMO Energy 0.34 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-acetamido-n-[(1s,2s)-3-[[[(2s)-2-acetamido-3-methyl-1-oxobutyl]amino]-(cyclohexylmethyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-3-methylbutanamide
  • (2s)-2-acetamido-n-[(1s,2s)-3-[[[(2s)-2-acetamido-3-methyl-butanoyl]amino]-(cyclohexylmethyl)amino]-1-(benzyl)-2-hydroxy-propyl]-3-methyl-butyramide
  • (2s)-2-acetamido-n-[(1s,2s)-3-[[[(2s)-2-acetamido-3-methyl-butanoyl]amino]-(cyclohexylmethyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-3-methyl-butanamide
  • (2s)-2-acetamido-n-[(2s,3s)-4-[[[(2s)-2-acetamido-3-methyl-butanoyl]amino]-(cyclohexylmethyl)amino]-3-hydroxy-1-phenyl-butan-2-yl]-3-methyl-butanamide
  • (2s)-2-acetamido-n-[(2s,3s)-4-[[[(2s)-2-acetamido-3-methylbutanoyl]amino]-(cyclohexylmethyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-methylbutanamide
  • 1-cyclohexyl-5(s)-2,5-bis[[2-n-(methylcarbonyl)-l-valinyl]amino]-4(r)-hydroxy-6-phenyl-2-azahexane
  • acetyl-nh-val-cyclohexyl-ch2[nch2choh]ch2-benzyl-val-nh-acetyl
  • cgp 53820
  • cgp-53820
  • l-valine, n-acetyl-, 2-((2s,3s)-3-(((2s)-2-(acetylamino)-3-methyl-1-oxobutyl)amino)-2-hydroxy-4-phenylbutyl)-2-(cyclohexylmethyl)hydrazide
  • n-acetyl-l-valine 2-((2s,3s)-3-(((2s)-2-(acetylamino)-3-methyl-1-oxobutyl)amino)-2-hydroxy-4-phenylbutyl)-2-(cyclohexylmethyl)hydrazide
CAS Number(s)
  • 149267-24-3
InChIKey JNBVLGDICHLLTN-DZUOILHNSA-N
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