L-Asparaginyl-D-Alanylglycyl-L-Alaninamide

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Properties Simple | Detailed

Formula C12H22N6O5
IUPAC Name (2s)-2-amino-n-[(1r)-2-[[2-[[(1s)-2-amino-1-methyl-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]butanediamide
Molecular Mass 330.340 g·mol−1
Heat of Formation -992.6 ± 16.7 kJ·mol−1
Dipole Moment 3.33 ± 1.08 D
Volume 397.23 Å 3
Surface Area 359.1 Å 2
HOMO Energy -9.53 ± 0.55 eV
LUMO Energy 0.85 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-n-[(1r)-2-[[2-[[(1s)-2-amino-1-methyl-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]butanediamide
  • (2s)-2-amino-n-[(1r)-2-[[2-[[(1s)-2-amino-1-methyl-2-oxoethyl]amino]-2-oxoethyl]amino]-1-methyl-2-oxoethyl]butanediamide
  • (2s)-2-amino-n-[(1r)-2-[[2-[[(1s)-2-amino-2-keto-1-methyl-ethyl]amino]-2-keto-ethyl]amino]-2-keto-1-methyl-ethyl]succinamide
  • (2s)-2-amino-n-[(2r)-1-[[2-[[(2s)-1-amino-1-oxo-propan-2-yl]amino]-2-oxo-ethyl]amino]-1-oxo-propan-2-yl]butanediamide
  • (2s)-2-amino-n-[(2r)-1-[[2-[[(2s)-1-amino-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]butanediamide
InChIKey ZHRWYRKHIBLAQB-XVMARJQXSA-N
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