methyl (2R)-2-[3-(3-methyl-4-oxidanylidene-quinazolin-2-yl)propanoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2R)-2-[3-(3-methyl-4-oxidanylidene-quinazolin-2-yl)propanoylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2R)-2-[3-(3-methyl-4-oxo-quinazolin-2-yl)propanoylamino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[3-(3-methyl-4-oxo-2-quinazolinyl)-1-oxopropyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2R)-2-[3-(3-methyl-4-oxoquinazolin-2-yl)propanoylamino]-4-methylsulfanylbutanoate Traditional Name: (2R)-2-[3-(4-keto-3-methyl-quinazolin-2-yl)propanoylamino]-4-(methylthio)butyric acid methyl ester Formula: C18H23N3O4S MolecularWeight: 377.45792

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=CC=CC=C2C1=O)CCC(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

CN1C(=NC2=CC=CC=C2C1=O)CCC(=O)N[C@H](CCSC)C(=O)OC

InChI

InChI=1S/C18H23N3O4S/c1-21-15(19-13-7-5-4-6-12(13)17(21)23)8-9-16(22)20-14(10-11-26-3)18(24)25-2/h4-7,14H,8-11H2,1-3H3,(H,20,22)/t14-/m1/s1