(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-3-methyl-2-(4-oxidanylidenequinazolin-3-yl)butanoyl]amino]propanoate

Systemtic Name: (2S)-3-(4-hydroxyphenyl)-2-[[(2S)-3-methyl-2-(4-oxidanylidenequinazolin-3-yl)butanoyl]amino]propanoate Openeye Name: (2S)-3-(4-hydroxyphenyl)-2-[[(2S)-3-methyl-2-(4-oxoquinazolin-3-yl)butanoyl]amino]propanoate CAS Name: (2S)-3-(4-hydroxyphenyl)-2-[[(2S)-3-methyl-1-oxo-2-(4-oxo-3-quinazolinyl)butyl]amino]propanoate IUPAC Name: (2S)-3-(4-hydroxyphenyl)-2-[[(2S)-3-methyl-2-(4-oxoquinazolin-3-yl)butanoyl]amino]propanoate Traditional Name: (2S)-3-(4-hydroxyphenyl)-2-[[(2S)-2-(4-ketoquinazolin-3-yl)-3-methyl-butanoyl]amino]propionate Formula: C22H22N3O5- MolecularWeight: 408.42718

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)[O-])N2C=NC3=CC=CC=C3C2=O

Isomeric SMILES

CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)[O-])N2C=NC3=CC=CC=C3C2=O

InChI

InChI=1S/C22H23N3O5/c1-13(2)19(25-12-23-17-6-4-3-5-16(17)21(25)28)20(27)24-18(22(29)30)11-14-7-9-15(26)10-8-14/h3-10,12-13,18-19,26H,11H2,1-2H3,(H,24,27)(H,29,30)/p-1/t18-,19-/m0/s1