(2R)-2-[[4-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]phenyl]carbonylamino]pentanoic acid

Systemtic Name: (2R)-2-[[4-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]phenyl]carbonylamino]pentanoic acid Openeye Name: (2R)-2-[[4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzoyl]amino]pentanoic acid CAS Name: (2R)-2-[[[4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]phenyl]-oxomethyl]amino]pentanoic acid IUPAC Name: (2R)-2-[[4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]pentanoic acid Traditional Name: (2R)-2-[[4-[(4-keto-2-methyl-1H-quinazolin-6-yl)methyl-propargyl-amino]benzoyl]amino]valeric acid Formula: C25H26N4O4 MolecularWeight: 446.49834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)O)NC(=O)C1=CC=C(C=C1)N(CC#C)CC2=CC3=C(C=C2)NC(=NC3=O)C

Isomeric SMILES

CCC[C@H](C(=O)O)NC(=O)C1=CC=C(C=C1)N(CC#C)CC2=CC3=C(C=C2)NC(=NC3=O)C

InChI

InChI=1S/C25H26N4O4/c1-4-6-22(25(32)33)28-23(30)18-8-10-19(11-9-18)29(13-5-2)15-17-7-12-21-20(14-17)24(31)27-16(3)26-21/h2,7-12,14,22H,4,6,13,15H2,1,3H3,(H,28,30)(H,32,33)(H,26,27,31)/t22-/m1/s1