(2S)-2-[2-[(4-oxidanylidene-1H-quinazolin-2-yl)sulfanyl]ethanoylamino]propanoic acid

Systemtic Name: (2S)-2-[2-[(4-oxidanylidene-1H-quinazolin-2-yl)sulfanyl]ethanoylamino]propanoic acid Openeye Name: (2S)-2-[[2-[(4-oxo-1H-quinazolin-2-yl)sulfanyl]acetyl]amino]propanoic acid CAS Name: (2S)-2-[[1-oxo-2-[(4-oxo-1H-quinazolin-2-yl)thio]ethyl]amino]propanoic acid IUPAC Name: (2S)-2-[[2-[(4-oxo-1H-quinazolin-2-yl)sulfanyl]acetyl]amino]propanoic acid Traditional Name: (2S)-2-[[2-[(4-keto-1H-quinazolin-2-yl)thio]acetyl]amino]propionic acid Formula: C13H13N3O4S MolecularWeight: 307.32502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)CSC1=NC(=O)C2=CC=CC=C2N1

Isomeric SMILES

C[C@@H](C(=O)O)NC(=O)CSC1=NC(=O)C2=CC=CC=C2N1

InChI

InChI=1S/C13H13N3O4S/c1-7(12(19)20)14-10(17)6-21-13-15-9-5-3-2-4-8(9)11(18)16-13/h2-5,7H,6H2,1H3,(H,14,17)(H,19,20)(H,15,16,18)/t7-/m0/s1