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

Systemtic Name: 5-azanyl-2-[[4-[(2-azanyl-4-oxidanylidene-1H-quinazolin-6-yl)methoxy]phenyl]carbonylamino]pentanoic acid Openeye Name: 5-amino-2-[[4-[(2-amino-4-oxo-1H-quinazolin-6-yl)methoxy]benzoyl]amino]pentanoic acid CAS Name: 5-amino-2-[[[4-[(2-amino-4-oxo-1H-quinazolin-6-yl)methoxy]phenyl]-oxomethyl]amino]pentanoic acid IUPAC Name: 5-amino-2-[[4-[(2-amino-4-oxo-1H-quinazolin-6-yl)methoxy]benzoyl]amino]pentanoic acid Traditional Name: 5-amino-2-[[4-[(2-amino-4-keto-1H-quinazolin-6-yl)methoxy]benzoyl]amino]valeric acid Formula: C21H23N5O5 MolecularWeight: 425.43782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC(CCCN)C(=O)O)OCC2=CC3=C(C=C2)NC(=NC3=O)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC(CCCN)C(=O)O)OCC2=CC3=C(C=C2)NC(=NC3=O)N

InChI

InChI=1S/C21H23N5O5/c22-9-1-2-17(20(29)30)24-18(27)13-4-6-14(7-5-13)31-11-12-3-8-16-15(10-12)19(28)26-21(23)25-16/h3-8,10,17H,1-2,9,11,22H2,(H,24,27)(H,29,30)(H3,23,25,26,28)