(2R)-2-[[5-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methylamino]thiophen-2-yl]carbonylamino]pentanedioic acid

Systemtic Name: (2R)-2-[[5-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methylamino]thiophen-2-yl]carbonylamino]pentanedioic acid Openeye Name: (2R)-2-[[5-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methylamino]thiophene-2-carbonyl]amino]pentanedioic acid CAS Name: (2R)-2-[[[5-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methylamino]-2-thiophenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: (2R)-2-[[5-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methylamino]thiophene-2-carbonyl]amino]pentanedioic acid Traditional Name: (2R)-2-[[5-[(4-keto-2-methyl-1H-quinazolin-6-yl)methylamino]thiophene-2-carbonyl]amino]glutaric acid Formula: C20H20N4O6S MolecularWeight: 444.461

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2=C(N1)C=CC(=C2)CNC3=CC=C(S3)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

CC1=NC(=O)C2=C(N1)C=CC(=C2)CNC3=CC=C(S3)C(=O)N[C@H](CCC(=O)O)C(=O)O

InChI

InChI=1S/C20H20N4O6S/c1-10-22-13-3-2-11(8-12(13)18(27)23-10)9-21-16-6-5-15(31-16)19(28)24-14(20(29)30)4-7-17(25)26/h2-3,5-6,8,14,21H,4,7,9H2,1H3,(H,24,28)(H,25,26)(H,29,30)(H,22,23,27)/t14-/m1/s1