3-[[4-[2-(4-azanylquinazolin-2-yl)ethyl]phenyl]carbonylamino]-2-(phenylsulfonylamino)propanoic acid

Systemtic Name: 3-[[4-[2-(4-azanylquinazolin-2-yl)ethyl]phenyl]carbonylamino]-2-(phenylsulfonylamino)propanoic acid Openeye Name: 3-[[4-[2-(4-aminoquinazolin-2-yl)ethyl]benzoyl]amino]-2-(benzenesulfonamido)propanoic acid CAS Name: 3-[[[4-[2-(4-amino-2-quinazolinyl)ethyl]phenyl]-oxomethyl]amino]-2-(benzenesulfonamido)propanoic acid IUPAC Name: 3-[[4-[2-(4-aminoquinazolin-2-yl)ethyl]benzoyl]amino]-2-(benzenesulfonamido)propanoic acid Traditional Name: 3-[[4-[2-(4-aminoquinazolin-2-yl)ethyl]benzoyl]amino]-2-(benzenesulfonamido)propionic acid Formula: C26H25N5O5S MolecularWeight: 519.5722

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)NC(CNC(=O)C2=CC=C(C=C2)CCC3=NC4=CC=CC=C4C(=N3)N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)NC(CNC(=O)C2=CC=C(C=C2)CCC3=NC4=CC=CC=C4C(=N3)N)C(=O)O

InChI

InChI=1S/C26H25N5O5S/c27-24-20-8-4-5-9-21(20)29-23(30-24)15-12-17-10-13-18(14-11-17)25(32)28-16-22(26(33)34)31-37(35,36)19-6-2-1-3-7-19/h1-11,13-14,22,31H,12,15-16H2,(H,28,32)(H,33,34)(H2,27,29,30)