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

Systemtic Name: 5-azanyl-2-[[4-[(2-azanyl-4-oxidanylidene-1H-quinazolin-6-yl)methylamino]phenyl]carbonylamino]pentanoic acid Openeye Name: 5-amino-2-[[4-[(2-amino-4-oxo-1H-quinazolin-6-yl)methylamino]benzoyl]amino]pentanoic acid CAS Name: 5-amino-2-[[[4-[(2-amino-4-oxo-1H-quinazolin-6-yl)methylamino]phenyl]-oxomethyl]amino]pentanoic acid IUPAC Name: 5-amino-2-[[4-[(2-amino-4-oxo-1H-quinazolin-6-yl)methylamino]benzoyl]amino]pentanoic acid Traditional Name: 5-amino-2-[[4-[(2-amino-4-keto-1H-quinazolin-6-yl)methylamino]benzoyl]amino]valeric acid Formula: C21H24N6O4 MolecularWeight: 424.45306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N6O4/c22-9-1-2-17(20(30)31)25-18(28)13-4-6-14(7-5-13)24-11-12-3-8-16-15(10-12)19(29)27-21(23)26-16/h3-8,10,17,24H,1-2,9,11,22H2,(H,25,28)(H,30,31)(H3,23,26,27,29)