(2S)-2-[[4-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)sulfonylamino]phenyl]carbonylamino]pentanedioic acid

Systemtic Name: (2S)-2-[[4-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)sulfonylamino]phenyl]carbonylamino]pentanedioic acid Openeye Name: (2S)-2-[[4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)sulfonylamino]benzoyl]amino]pentanedioic acid CAS Name: (2S)-2-[[[4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)sulfonylamino]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: (2S)-2-[[4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)sulfonylamino]benzoyl]amino]pentanedioic acid Traditional Name: (2S)-2-[[4-[(4-keto-2-methyl-1H-quinazolin-6-yl)sulfonylamino]benzoyl]amino]glutaric acid Formula: C21H20N4O8S MolecularWeight: 488.4705

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2=C(N1)C=CC(=C2)S(=O)(=O)NC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

CC1=NC(=O)C2=C(N1)C=CC(=C2)S(=O)(=O)NC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O

InChI

InChI=1S/C21H20N4O8S/c1-11-22-16-7-6-14(10-15(16)20(29)23-11)34(32,33)25-13-4-2-12(3-5-13)19(28)24-17(21(30)31)8-9-18(26)27/h2-7,10,17,25H,8-9H2,1H3,(H,24,28)(H,26,27)(H,30,31)(H,22,23,29)/t17-/m0/s1