(2R)-2-azanyl-3-[(7-methoxy-4-oxidanylidene-quinazolin-3-yl)methylsulfanyl]propanoic acid

Systemtic Name: (2R)-2-azanyl-3-[(7-methoxy-4-oxidanylidene-quinazolin-3-yl)methylsulfanyl]propanoic acid Openeye Name: (2R)-2-amino-3-[(7-methoxy-4-oxo-quinazolin-3-yl)methylsulfanyl]propanoic acid CAS Name: (2R)-2-amino-3-[(7-methoxy-4-oxo-3-quinazolinyl)methylthio]propanoic acid IUPAC Name: (2R)-2-amino-3-[(7-methoxy-4-oxoquinazolin-3-yl)methylsulfanyl]propanoic acid Traditional Name: (2R)-2-amino-3-[(4-keto-7-methoxy-quinazolin-3-yl)methylthio]propionic acid Formula: C13H15N3O4S MolecularWeight: 309.3409

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=O)N(C=N2)CSCC(C(=O)O)N

Isomeric SMILES

COC1=CC2=C(C=C1)C(=O)N(C=N2)CSC[C@@H](C(=O)O)N

InChI

InChI=1S/C13H15N3O4S/c1-20-8-2-3-9-11(4-8)15-6-16(12(9)17)7-21-5-10(14)13(18)19/h2-4,6,10H,5,7,14H2,1H3,(H,18,19)/t10-/m0/s1