(2S)-3-methylsulfanyl-2-[3-(4-oxidanylidenequinazolin-3-yl)propanoylamino]propanoic acid

Systemtic Name: (2S)-3-methylsulfanyl-2-[3-(4-oxidanylidenequinazolin-3-yl)propanoylamino]propanoic acid Openeye Name: (2S)-3-methylsulfanyl-2-[3-(4-oxoquinazolin-3-yl)propanoylamino]propanoic acid CAS Name: (2S)-3-(methylthio)-2-[[1-oxo-3-(4-oxo-3-quinazolinyl)propyl]amino]propanoic acid IUPAC Name: (2S)-3-methylsulfanyl-2-[3-(4-oxoquinazolin-3-yl)propanoylamino]propanoic acid Traditional Name: (2S)-2-[3-(4-ketoquinazolin-3-yl)propanoylamino]-3-(methylthio)propionic acid Formula: C15H17N3O4S MolecularWeight: 335.37818

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Descriptors Computed from Structure

Canonical SMILES:

CSCC(C(=O)O)NC(=O)CCN1C=NC2=CC=CC=C2C1=O

Isomeric SMILES

CSC[C@H](C(=O)O)NC(=O)CCN1C=NC2=CC=CC=C2C1=O

InChI

InChI=1S/C15H17N3O4S/c1-23-8-12(15(21)22)17-13(19)6-7-18-9-16-11-5-3-2-4-10(11)14(18)20/h2-5,9,12H,6-8H2,1H3,(H,17,19)(H,21,22)/t12-/m1/s1