(2S)-2-[[4-[(2-azanyl-4-oxidanylidene-1H-quinazolin-6-yl)methylamino]phenyl]carbonylamino]butanedioic acid

Systemtic Name: (2S)-2-[[4-[(2-azanyl-4-oxidanylidene-1H-quinazolin-6-yl)methylamino]phenyl]carbonylamino]butanedioic acid Openeye Name: (2S)-2-[[4-[(2-amino-4-oxo-1H-quinazolin-6-yl)methylamino]benzoyl]amino]butanedioic acid CAS Name: (2S)-2-[[[4-[(2-amino-4-oxo-1H-quinazolin-6-yl)methylamino]phenyl]-oxomethyl]amino]butanedioic acid IUPAC Name: (2S)-2-[[4-[(2-amino-4-oxo-1H-quinazolin-6-yl)methylamino]benzoyl]amino]butanedioic acid Traditional Name: (2S)-2-[[4-[(2-amino-4-keto-1H-quinazolin-6-yl)methylamino]benzoyl]amino]succinic acid Formula: C20H19N5O6 MolecularWeight: 425.39476

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC(CC(=O)O)C(=O)O)NCC2=CC3=C(C=C2)NC(=NC3=O)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)N[C@@H](CC(=O)O)C(=O)O)NCC2=CC3=C(C=C2)NC(=NC3=O)N

InChI

InChI=1S/C20H19N5O6/c21-20-24-14-6-1-10(7-13(14)18(29)25-20)9-22-12-4-2-11(3-5-12)17(28)23-15(19(30)31)8-16(26)27/h1-7,15,22H,8-9H2,(H,23,28)(H,26,27)(H,30,31)(H3,21,24,25,29)/t15-/m0/s1