ditert-butyl (2S)-2-[[4-[[2-azanyl-4-oxidanylidene-5-(trifluoromethyl)-1H-quinazolin-6-yl]methylamino]phenyl]carbonylamino]pentanedioate

Systemtic Name: ditert-butyl (2S)-2-[[4-[[2-azanyl-4-oxidanylidene-5-(trifluoromethyl)-1H-quinazolin-6-yl]methylamino]phenyl]carbonylamino]pentanedioate Openeye Name: ditert-butyl (2S)-2-[[4-[[2-amino-4-oxo-5-(trifluoromethyl)-1H-quinazolin-6-yl]methylamino]benzoyl]amino]pentanedioate CAS Name: (2S)-2-[[[4-[[2-amino-4-oxo-5-(trifluoromethyl)-1H-quinazolin-6-yl]methylamino]phenyl]-oxomethyl]amino]pentanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl (2S)-2-[[4-[[2-amino-4-oxo-5-(trifluoromethyl)-1H-quinazolin-6-yl]methylamino]benzoyl]amino]pentanedioate Traditional Name: (2S)-2-[[4-[[2-amino-4-keto-5-(trifluoromethyl)-1H-quinazolin-6-yl]methylamino]benzoyl]amino]glutaric acid ditert-butyl ester Formula: C30H36F3N5O6 MolecularWeight: 619.63195

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCC(C(=O)OC(C)(C)C)NC(=O)C1=CC=C(C=C1)NCC2=C(C3=C(C=C2)NC(=NC3=O)N)C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)CC[C@@H](C(=O)OC(C)(C)C)NC(=O)C1=CC=C(C=C1)NCC2=C(C3=C(C=C2)NC(=NC3=O)N)C(F)(F)F

InChI

InChI=1S/C30H36F3N5O6/c1-28(2,3)43-21(39)14-13-20(26(42)44-29(4,5)6)36-24(40)16-7-10-18(11-8-16)35-15-17-9-12-19-22(23(17)30(31,32)33)25(41)38-27(34)37-19/h7-12,20,35H,13-15H2,1-6H3,(H,36,40)(H3,34,37,38,41)/t20-/m0/s1