N-Acetyl-L-Alanyl-L-Alanyl-N-{(2S)-2-[(4-Methyl-2-Oxo-2H-Chromen-7-Yl)Amino]Propanoyl}-L-Prolinamide

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Properties Simple | Detailed

Formula C26H33N5O7
IUPAC Name (2s)-1-[(2s)-2-[[(2s)-2-acetamidopropanoyl]amino]propanoyl]-n-[(2s)-2-[(4-methyl-2-oxo-chromen-7-yl)amino]propanoyl]pyrrolidine-2-carboxamide
Molecular Mass 527.570 g·mol−1
Heat of Formation -1195.8 ± 16.7 kJ·mol−1
Dipole Moment 4.77 ± 1.08 D
Volume 634.19 Å 3
Surface Area 537.4 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy -0.78 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-1-[(2s)-2-[[(2s)-2-acetamido-1-oxopropyl]amino]-1-oxopropyl]-n-[(2s)-2-[(4-methyl-2-oxo-7-chromenyl)amino]-1-oxopropyl]-2-pyrrolidinecarboxamide
  • (2s)-1-[(2s)-2-[[(2s)-2-acetamidopropanoyl]amino]propanoyl]-n-[(2s)-2-[(2-keto-4-methyl-chromen-7-yl)amino]propanoyl]pyrrolidine-2-carboxamide
  • (2s)-1-[(2s)-2-[[(2s)-2-acetamidopropanoyl]amino]propanoyl]-n-[(2s)-2-[(4-methyl-2-oxo-chromen-7-yl)amino]propanoyl]pyrrolidine-2-carboxamide
  • (2s)-1-[(2s)-2-[[(2s)-2-acetamidopropanoyl]amino]propanoyl]-n-[(2s)-2-[(4-methyl-2-oxochromen-7-yl)amino]propanoyl]pyrrolidine-2-carboxamide
  • n-ac-ala-ala-pro-ala-amc
CAS Number(s)
  • 62037-45-0
InChIKey BSRAITUIJQXBCY-ULMVMLMRSA-N
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