(2S)-4-methylsulfanyl-2-[[(2S)-2-(4-oxidanylidenequinazolin-3-yl)-2-phenyl-ethanoyl]amino]butanoate

Systemtic Name: (2S)-4-methylsulfanyl-2-[[(2S)-2-(4-oxidanylidenequinazolin-3-yl)-2-phenyl-ethanoyl]amino]butanoate Openeye Name: (2S)-4-methylsulfanyl-2-[[(2S)-2-(4-oxoquinazolin-3-yl)-2-phenyl-acetyl]amino]butanoate CAS Name: (2S)-4-(methylthio)-2-[[(2S)-1-oxo-2-(4-oxo-3-quinazolinyl)-2-phenylethyl]amino]butanoate IUPAC Name: (2S)-4-methylsulfanyl-2-[[(2S)-2-(4-oxoquinazolin-3-yl)-2-phenylacetyl]amino]butanoate Traditional Name: (2S)-2-[[(2S)-2-(4-ketoquinazolin-3-yl)-2-phenyl-acetyl]amino]-4-(methylthio)butyrate Formula: C21H20N3O4S- MolecularWeight: 410.4662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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