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

Systemtic Name: (2S)-3-(4-hydroxyphenyl)-2-[4-(4-oxidanylidenequinazolin-3-yl)butanoylamino]propanoate Openeye Name: (2S)-3-(4-hydroxyphenyl)-2-[4-(4-oxoquinazolin-3-yl)butanoylamino]propanoate CAS Name: (2S)-3-(4-hydroxyphenyl)-2-[[1-oxo-4-(4-oxo-3-quinazolinyl)butyl]amino]propanoate IUPAC Name: (2S)-3-(4-hydroxyphenyl)-2-[4-(4-oxoquinazolin-3-yl)butanoylamino]propanoate Traditional Name: (2S)-3-(4-hydroxyphenyl)-2-[4-(4-ketoquinazolin-3-yl)butanoylamino]propionate Formula: C21H20N3O5- MolecularWeight: 394.4006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O5/c25-15-9-7-14(8-10-15)12-18(21(28)29)23-19(26)6-3-11-24-13-22-17-5-2-1-4-16(17)20(24)27/h1-2,4-5,7-10,13,18,25H,3,6,11-12H2,(H,23,26)(H,28,29)/p-1/t18-/m0/s1