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

Systemtic Name: 4-[[(2S)-2-(4-oxidanylidenequinazolin-3-yl)-3-phenyl-propanoyl]amino]butanoate Openeye Name: 4-[[(2S)-2-(4-oxoquinazolin-3-yl)-3-phenyl-propanoyl]amino]butanoate CAS Name: 4-[[(2S)-1-oxo-2-(4-oxo-3-quinazolinyl)-3-phenylpropyl]amino]butanoate IUPAC Name: 4-[[(2S)-2-(4-oxoquinazolin-3-yl)-3-phenylpropanoyl]amino]butanoate Traditional Name: 4-[[(2S)-2-(4-ketoquinazolin-3-yl)-3-phenyl-propanoyl]amino]butyrate Formula: C21H20N3O4- MolecularWeight: 378.4012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O4/c25-19(26)11-6-12-22-20(27)18(13-15-7-2-1-3-8-15)24-14-23-17-10-5-4-9-16(17)21(24)28/h1-5,7-10,14,18H,6,11-13H2,(H,22,27)(H,25,26)/p-1/t18-/m0/s1