(2S)-2-[[(2S)-3-methyl-2-(4-oxidanylidenequinazolin-3-yl)butanoyl]amino]-3-phenyl-propanoate

Systemtic Name: (2S)-2-[[(2S)-3-methyl-2-(4-oxidanylidenequinazolin-3-yl)butanoyl]amino]-3-phenyl-propanoate Openeye Name: (2S)-2-[[(2S)-3-methyl-2-(4-oxoquinazolin-3-yl)butanoyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(2S)-3-methyl-1-oxo-2-(4-oxo-3-quinazolinyl)butyl]amino]-3-phenylpropanoate IUPAC Name: (2S)-2-[[(2S)-3-methyl-2-(4-oxoquinazolin-3-yl)butanoyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[(2S)-2-(4-ketoquinazolin-3-yl)-3-methyl-butanoyl]amino]-3-phenyl-propionate Formula: C22H22N3O4- MolecularWeight: 392.42778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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