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

Systemtic Name: (2S)-2-[[4-[(4-oxidanylidene-2-propan-2-yl-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]phenyl]carbonylamino]pentanedioic acid Openeye Name: (2S)-2-[[4-[(2-isopropyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzoyl]amino]pentanedioic acid CAS Name: (2S)-2-[[oxo-[4-[(4-oxo-2-propan-2-yl-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]phenyl]methyl]amino]pentanedioic acid IUPAC Name: (2S)-2-[[4-[(4-oxo-2-propan-2-yl-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]pentanedioic acid Traditional Name: (2S)-2-[[4-[(2-isopropyl-4-keto-1H-quinazolin-6-yl)methyl-propargyl-amino]benzoyl]amino]glutaric acid Formula: C27H28N4O6 MolecularWeight: 504.53442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

CC(C)C1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O

InChI

InChI=1S/C27H28N4O6/c1-4-13-31(15-17-5-10-21-20(14-17)26(35)30-24(28-21)16(2)3)19-8-6-18(7-9-19)25(34)29-22(27(36)37)11-12-23(32)33/h1,5-10,14,16,22H,11-13,15H2,2-3H3,(H,29,34)(H,32,33)(H,36,37)(H,28,30,35)/t22-/m0/s1