Methyl N-[3-(4-Oxo-1,4-Dihydro-2-Quinazolinyl)Propanoyl]-L-Phenylalaninate

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Properties Simple | Detailed

Formula C21H21N3O4
IUPAC Name methyl (2s)-2-[3-(4-oxoquinazolin-3-ium-2-yl)propanoylamino]-3-phenyl-propanoate
Molecular Mass 379.409 g·mol−1
Heat of Formation -510.5 ± 16.7 kJ·mol−1
Dipole Moment 3.00 ± 1.08 D
Volume 456.68 Å 3
Surface Area 398.49 Å 2
HOMO Energy -9.26 ± 0.55 eV
LUMO Energy -1.09 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[3-(4-keto-1h-quinazolin-2-yl)propanoylamino]-3-phenyl-propionic acid methyl ester
  • (2s)-2-[[1-oxo-3-(4-oxo-1h-quinazolin-2-yl)propyl]amino]-3-phenylpropanoic acid methyl ester
  • methyl (2s)-2-[3-(4-oxo-1h-quinazolin-2-yl)propanoylamino]-3-phenyl-propanoate
InChIKey VBHDTUSGPSUCNL-KRWDZBQOSA-N
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