1VC

methyl N-[3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanoyl]-L-phenylalaninate


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Chemical Component Summary

Namemethyl N-[3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanoyl]-L-phenylalaninate
Identifiersmethyl (2S)-2-[3-(4-oxidanylidene-3H-quinazolin-2-yl)propanoylamino]-3-phenyl-propanoate
FormulaC21 H21 N3 O4
Molecular Weight379.409
TypeNON-POLYMER
Isomeric SMILESCOC(=O)[C@H](Cc1ccccc1)NC(=O)CCC2=Nc3ccccc3C(=O)N2
InChIInChI=1S/C21H21N3O4/c1-28-21(27)17(13-14-7-3-2-4-8-14)23-19(25)12-11-18-22-16-10-6-5-9-15(16)20(26)24-18/h2-10,17H,11-13H2,1H3,(H,23,25)(H,22,24,26)/t17-/m0/s1
InChIKeyVBHDTUSGPSUCNL-KRWDZBQOSA-N

Chemical Details

Formal Charge0
Atom Count49
Chiral Atom Count1
Bond Count51
Aromatic Bond Count12

Related Resource References

Resource NameReference
PubChem 135566846, 9269589
ChEMBL CHEMBL3092523