(2S)-2-[[(2S)-4-methylsulfanyl-2-(4-oxidanylidenequinazolin-3-yl)butanoyl]amino]-2-phenyl-ethanoate

Systemtic Name: (2S)-2-[[(2S)-4-methylsulfanyl-2-(4-oxidanylidenequinazolin-3-yl)butanoyl]amino]-2-phenyl-ethanoate Openeye Name: (2S)-2-[[(2S)-4-methylsulfanyl-2-(4-oxoquinazolin-3-yl)butanoyl]amino]-2-phenyl-acetate CAS Name: (2S)-2-[[(2S)-4-(methylthio)-1-oxo-2-(4-oxo-3-quinazolinyl)butyl]amino]-2-phenylacetate IUPAC Name: (2S)-2-[[(2S)-4-methylsulfanyl-2-(4-oxoquinazolin-3-yl)butanoyl]amino]-2-phenylacetate Traditional Name: (2S)-2-[[(2S)-2-(4-ketoquinazolin-3-yl)-4-(methylthio)butanoyl]amino]-2-phenyl-acetate Formula: C21H20N3O4S- MolecularWeight: 410.4662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O4S/c1-29-12-11-17(24-13-22-16-10-6-5-9-15(16)20(24)26)19(25)23-18(21(27)28)14-7-3-2-4-8-14/h2-10,13,17-18H,11-12H2,1H3,(H,23,25)(H,27,28)/p-1/t17-,18-/m0/s1