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

Systemtic Name: (2S)-2-[[4-[[2-(fluoranylmethyl)-4-oxidanylidene-1H-quinazolin-6-yl]methyl-prop-2-ynyl-amino]phenyl]carbonylamino]pentanedioic acid Openeye Name: (2S)-2-[[4-[[2-(fluoromethyl)-4-oxo-1H-quinazolin-6-yl]methyl-prop-2-ynyl-amino]benzoyl]amino]pentanedioic acid CAS Name: (2S)-2-[[[4-[[2-(fluoromethyl)-4-oxo-1H-quinazolin-6-yl]methyl-prop-2-ynylamino]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: (2S)-2-[[4-[[2-(fluoromethyl)-4-oxo-1H-quinazolin-6-yl]methyl-prop-2-ynylamino]benzoyl]amino]pentanedioic acid Traditional Name: (2S)-2-[[4-[[2-(fluoromethyl)-4-keto-1H-quinazolin-6-yl]methyl-propargyl-amino]benzoyl]amino]glutaric acid Formula: C25H23FN4O6 MolecularWeight: 494.471723

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN(CC1=CC2=C(C=C1)NC(=NC2=O)CF)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

C#CCN(CC1=CC2=C(C=C1)NC(=NC2=O)CF)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O

InChI

InChI=1S/C25H23FN4O6/c1-2-11-30(14-15-3-8-19-18(12-15)24(34)29-21(13-26)27-19)17-6-4-16(5-7-17)23(33)28-20(25(35)36)9-10-22(31)32/h1,3-8,12,20H,9-11,13-14H2,(H,28,33)(H,31,32)(H,35,36)(H,27,29,34)/t20-/m0/s1