3-[[4-[[(4-azanylquinazolin-2-yl)amino]methyl]phenyl]carbonylamino]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid

Systemtic Name: 3-[[4-[[(4-azanylquinazolin-2-yl)amino]methyl]phenyl]carbonylamino]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid Openeye Name: 3-[[4-[[(4-aminoquinazolin-2-yl)amino]methyl]benzoyl]amino]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid CAS Name: 3-[[[4-[[(4-amino-2-quinazolinyl)amino]methyl]phenyl]-oxomethyl]amino]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid IUPAC Name: 3-[[4-[[(4-aminoquinazolin-2-yl)amino]methyl]benzoyl]amino]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid Traditional Name: 3-[[4-[[(4-aminoquinazolin-2-yl)amino]methyl]benzoyl]amino]-2-(mesitylsulfonylamino)propionic acid Formula: C28H30N6O5S MolecularWeight: 562.64

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)NC(CNC(=O)C2=CC=C(C=C2)CNC3=NC4=CC=CC=C4C(=N3)N)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)NC(CNC(=O)C2=CC=C(C=C2)CNC3=NC4=CC=CC=C4C(=N3)N)C(=O)O)C

InChI

InChI=1S/C28H30N6O5S/c1-16-12-17(2)24(18(3)13-16)40(38,39)34-23(27(36)37)15-30-26(35)20-10-8-19(9-11-20)14-31-28-32-22-7-5-4-6-21(22)25(29)33-28/h4-13,23,34H,14-15H2,1-3H3,(H,30,35)(H,36,37)(H3,29,31,32,33)