(2S)-2-[4-[2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]butanoylamino]-3-phenyl-propanoate

Systemtic Name: (2S)-2-[4-[2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]butanoylamino]-3-phenyl-propanoate Openeye Name: (2S)-2-[4-(2,4-dioxo-1H-quinazolin-3-yl)butanoylamino]-3-phenyl-propanoate CAS Name: (2S)-2-[[4-(2,4-dioxo-1H-quinazolin-3-yl)-1-oxobutyl]amino]-3-phenylpropanoate IUPAC Name: (2S)-2-[4-(2,4-dioxo-1H-quinazolin-3-yl)butanoylamino]-3-phenylpropanoate Traditional Name: (2S)-2-[4-(2,4-diketo-1H-quinazolin-3-yl)butanoylamino]-3-phenyl-propionate Formula: C21H20N3O5- MolecularWeight: 394.4006

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)[O-])NC(=O)CCCN2C(=O)C3=CC=CC=C3NC2=O

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)[O-])NC(=O)CCCN2C(=O)C3=CC=CC=C3NC2=O

InChI

InChI=1S/C21H21N3O5/c25-18(22-17(20(27)28)13-14-7-2-1-3-8-14)11-6-12-24-19(26)15-9-4-5-10-16(15)23-21(24)29/h1-5,7-10,17H,6,11-13H2,(H,22,25)(H,23,29)(H,27,28)/p-1/t17-/m0/s1