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

Systemtic Name: (2S)-3-methyl-2-[[(2S)-2-(4-oxidanylidenequinazolin-3-yl)-3-phenyl-propanoyl]amino]butanoate Openeye Name: (2S)-3-methyl-2-[[(2S)-2-(4-oxoquinazolin-3-yl)-3-phenyl-propanoyl]amino]butanoate CAS Name: (2S)-3-methyl-2-[[(2S)-1-oxo-2-(4-oxo-3-quinazolinyl)-3-phenylpropyl]amino]butanoate IUPAC Name: (2S)-3-methyl-2-[[(2S)-2-(4-oxoquinazolin-3-yl)-3-phenylpropanoyl]amino]butanoate Traditional Name: (2S)-2-[[(2S)-2-(4-ketoquinazolin-3-yl)-3-phenyl-propanoyl]amino]-3-methyl-butyrate Formula: C22H22N3O4- MolecularWeight: 392.42778

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])NC(=O)C(CC1=CC=CC=C1)N2C=NC3=CC=CC=C3C2=O

Isomeric SMILES

CC(C)[C@@H](C(=O)[O-])NC(=O)[C@H](CC1=CC=CC=C1)N2C=NC3=CC=CC=C3C2=O

InChI

InChI=1S/C22H23N3O4/c1-14(2)19(22(28)29)24-20(26)18(12-15-8-4-3-5-9-15)25-13-23-17-11-7-6-10-16(17)21(25)27/h3-11,13-14,18-19H,12H2,1-2H3,(H,24,26)(H,28,29)/p-1/t18-,19-/m0/s1