(2R)-3-(4-hydroxyphenyl)-2-[4-(4-oxidanylidene-1H-quinazolin-2-yl)butanoylamino]propanoate

Systemtic Name: (2R)-3-(4-hydroxyphenyl)-2-[4-(4-oxidanylidene-1H-quinazolin-2-yl)butanoylamino]propanoate Openeye Name: (2R)-3-(4-hydroxyphenyl)-2-[4-(4-oxo-1H-quinazolin-2-yl)butanoylamino]propanoate CAS Name: (2R)-3-(4-hydroxyphenyl)-2-[[1-oxo-4-(4-oxo-1H-quinazolin-2-yl)butyl]amino]propanoate IUPAC Name: (2R)-3-(4-hydroxyphenyl)-2-[4-(4-oxo-1H-quinazolin-2-yl)butanoylamino]propanoate Traditional Name: (2R)-3-(4-hydroxyphenyl)-2-[4-(4-keto-1H-quinazolin-2-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/c25-14-10-8-13(9-11-14)12-17(21(28)29)23-19(26)7-3-6-18-22-16-5-2-1-4-15(16)20(27)24-18/h1-2,4-5,8-11,17,25H,3,6-7,12H2,(H,23,26)(H,28,29)(H,22,24,27)/p-1/t17-/m1/s1