(2S)-2-[4-(4-oxidanylidenequinazolin-3-yl)butanoylamino]-3-phenyl-propanoate

Systemtic Name: (2S)-2-[4-(4-oxidanylidenequinazolin-3-yl)butanoylamino]-3-phenyl-propanoate Openeye Name: (2S)-2-[4-(4-oxoquinazolin-3-yl)butanoylamino]-3-phenyl-propanoate CAS Name: (2S)-2-[[1-oxo-4-(4-oxo-3-quinazolinyl)butyl]amino]-3-phenylpropanoate IUPAC Name: (2S)-2-[4-(4-oxoquinazolin-3-yl)butanoylamino]-3-phenylpropanoate Traditional Name: (2S)-2-[4-(4-ketoquinazolin-3-yl)butanoylamino]-3-phenyl-propionate Formula: C21H20N3O4- MolecularWeight: 378.4012

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)[O-])NC(=O)CCCN2C=NC3=CC=CC=C3C2=O

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)[O-])NC(=O)CCCN2C=NC3=CC=CC=C3C2=O

InChI

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