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

Systemtic Name: 5-azanyl-2-[[4-[(2-azanyl-5-chloranyl-4-oxidanylidene-1H-quinazolin-6-yl)methylamino]phenyl]carbonylamino]pentanoic acid Openeye Name: 5-amino-2-[[4-[(2-amino-5-chloro-4-oxo-1H-quinazolin-6-yl)methylamino]benzoyl]amino]pentanoic acid CAS Name: 5-amino-2-[[[4-[(2-amino-5-chloro-4-oxo-1H-quinazolin-6-yl)methylamino]phenyl]-oxomethyl]amino]pentanoic acid IUPAC Name: 5-amino-2-[[4-[(2-amino-5-chloro-4-oxo-1H-quinazolin-6-yl)methylamino]benzoyl]amino]pentanoic acid Traditional Name: 5-amino-2-[[4-[(2-amino-5-chloro-4-keto-1H-quinazolin-6-yl)methylamino]benzoyl]amino]valeric acid Formula: C21H23ClN6O4 MolecularWeight: 458.89812

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC(CCCN)C(=O)O)NCC2=C(C3=C(C=C2)NC(=NC3=O)N)Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC(CCCN)C(=O)O)NCC2=C(C3=C(C=C2)NC(=NC3=O)N)Cl

InChI

InChI=1S/C21H23ClN6O4/c22-17-12(5-8-14-16(17)19(30)28-21(24)27-14)10-25-13-6-3-11(4-7-13)18(29)26-15(20(31)32)2-1-9-23/h3-8,15,25H,1-2,9-10,23H2,(H,26,29)(H,31,32)(H3,24,27,28,30)