(2S)-2-[[(2S)-2-(4-oxidanylidenequinazolin-3-yl)-3-phenyl-propanoyl]amino]butanedioate

Systemtic Name: (2S)-2-[[(2S)-2-(4-oxidanylidenequinazolin-3-yl)-3-phenyl-propanoyl]amino]butanedioate Openeye Name: (2S)-2-[[(2S)-2-(4-oxoquinazolin-3-yl)-3-phenyl-propanoyl]amino]butanedioate CAS Name: (2S)-2-[[(2S)-1-oxo-2-(4-oxo-3-quinazolinyl)-3-phenylpropyl]amino]butanedioate IUPAC Name: (2S)-2-[[(2S)-2-(4-oxoquinazolin-3-yl)-3-phenylpropanoyl]amino]butanedioate Traditional Name: (2S)-2-[[(2S)-2-(4-ketoquinazolin-3-yl)-3-phenyl-propanoyl]amino]succinate Formula: C21H17N3O6-2 MolecularWeight: 407.37618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O6/c25-18(26)11-16(21(29)30)23-19(27)17(10-13-6-2-1-3-7-13)24-12-22-15-9-5-4-8-14(15)20(24)28/h1-9,12,16-17H,10-11H2,(H,23,27)(H,25,26)(H,29,30)/p-2/t16-,17-/m0/s1