(2R)-2-[(7-carboxylatoquinazolin-4-yl)amino]butanedioate

Systemtic Name: (2R)-2-[(7-carboxylatoquinazolin-4-yl)amino]butanedioate Openeye Name: (2R)-2-[(7-carboxylatoquinazolin-4-yl)amino]butanedioate CAS Name: (2R)-2-[(7-carboxylato-4-quinazolinyl)amino]butanedioate IUPAC Name: (2R)-2-[(7-carboxylatoquinazolin-4-yl)amino]butanedioate Traditional Name: (2R)-2-[(7-carboxylatoquinazolin-4-yl)amino]succinate Formula: C13H8N3O6-3 MolecularWeight: 302.21912

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)[O-])N=CN=C2NC(CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC2=C(C=C1C(=O)[O-])N=CN=C2N[C@H](CC(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C13H11N3O6/c17-10(18)4-9(13(21)22)16-11-7-2-1-6(12(19)20)3-8(7)14-5-15-11/h1-3,5,9H,4H2,(H,17,18)(H,19,20)(H,21,22)(H,14,15,16)/p-3/t9-/m1/s1