(2S)-3-(4-hydroxyphenyl)-2-[3-(4-oxidanylidenequinazolin-3-yl)propanoylamino]propanoate

Systemtic Name: (2S)-3-(4-hydroxyphenyl)-2-[3-(4-oxidanylidenequinazolin-3-yl)propanoylamino]propanoate Openeye Name: (2S)-3-(4-hydroxyphenyl)-2-[3-(4-oxoquinazolin-3-yl)propanoylamino]propanoate CAS Name: (2S)-3-(4-hydroxyphenyl)-2-[[1-oxo-3-(4-oxo-3-quinazolinyl)propyl]amino]propanoate IUPAC Name: (2S)-3-(4-hydroxyphenyl)-2-[3-(4-oxoquinazolin-3-yl)propanoylamino]propanoate Traditional Name: (2S)-3-(4-hydroxyphenyl)-2-[3-(4-ketoquinazolin-3-yl)propanoylamino]propionate Formula: C20H18N3O5- MolecularWeight: 380.37402

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C=N2)CCC(=O)NC(CC3=CC=C(C=C3)O)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C=N2)CCC(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)[O-]

InChI

InChI=1S/C20H19N3O5/c24-14-7-5-13(6-8-14)11-17(20(27)28)22-18(25)9-10-23-12-21-16-4-2-1-3-15(16)19(23)26/h1-8,12,17,24H,9-11H2,(H,22,25)(H,27,28)/p-1/t17-/m0/s1