(3S)-3-(4-methylphenyl)-3-[4-(4-oxidanylidene-1H-quinazolin-2-yl)butanoylamino]propanoic acid

Systemtic Name: (3S)-3-(4-methylphenyl)-3-[4-(4-oxidanylidene-1H-quinazolin-2-yl)butanoylamino]propanoic acid Openeye Name: (3S)-3-[4-(4-oxo-1H-quinazolin-2-yl)butanoylamino]-3-(p-tolyl)propanoic acid CAS Name: (3S)-3-(4-methylphenyl)-3-[[1-oxo-4-(4-oxo-1H-quinazolin-2-yl)butyl]amino]propanoic acid IUPAC Name: (3S)-3-(4-methylphenyl)-3-[4-(4-oxo-1H-quinazolin-2-yl)butanoylamino]propanoic acid Traditional Name: (3S)-3-[4-(4-keto-1H-quinazolin-2-yl)butanoylamino]-3-(p-tolyl)propionic acid Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC(=O)O)NC(=O)CCCC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](CC(=O)O)NC(=O)CCCC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C22H23N3O4/c1-14-9-11-15(12-10-14)18(13-21(27)28)24-20(26)8-4-7-19-23-17-6-3-2-5-16(17)22(29)25-19/h2-3,5-6,9-12,18H,4,7-8,13H2,1H3,(H,24,26)(H,27,28)(H,23,25,29)/t18-/m0/s1