N-[(2S)-2-Benzyl-3-Sulfanylpropanoyl]-L-Alanylglycinamide

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Properties Simple | Detailed

Formula C15H21N3O3S
IUPAC Name (2s)-n-[(1s)-2-[(2-amino-2-oxo-ethyl)amino]-1-methyl-2-oxo-ethyl]-2-benzyl-3-sulfanyl-propanamide
Molecular Mass 323.411 g·mol−1
Heat of Formation -501.2 ± 16.7 kJ·mol−1
Dipole Moment 5.10 ± 1.08 D
Volume 401.2 Å 3
Surface Area 330.62 Å 2
HOMO Energy -8.73 ± 0.55 eV
LUMO Energy -0.10 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-n-[(1s)-2-[(2-amino-2-keto-ethyl)amino]-2-keto-1-methyl-ethyl]-2-(benzyl)-3-mercapto-propionamide
  • (2s)-n-[(1s)-2-[(2-amino-2-oxo-ethyl)amino]-1-methyl-2-oxo-ethyl]-2-(phenylmethyl)-3-sulfanyl-propanamide
  • (2s)-n-[(1s)-2-[(2-amino-2-oxoethyl)amino]-1-methyl-2-oxoethyl]-2-(mercaptomethyl)-3-phenylpropanamide
  • (2s)-n-[(2s)-1-[(2-amino-2-oxo-ethyl)amino]-1-oxo-propan-2-yl]-2-(phenylmethyl)-3-sulfanyl-propanamide
  • (2s)-n-[(2s)-1-[(2-amino-2-oxoethyl)amino]-1-oxopropan-2-yl]-2-(phenylmethyl)-3-sulfanylpropanamide
  • btp-asp-gm1
InChIKey AUJQAKJLNYFOHT-CMPLNLGQSA-N
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