(2R)-2-[[4-[(2-azanyl-3-methyl-4-oxidanylidene-quinazolin-6-yl)methyl-prop-2-ynyl-amino]phenyl]carbonylamino]pentanedioic acid

Systemtic Name: (2R)-2-[[4-[(2-azanyl-3-methyl-4-oxidanylidene-quinazolin-6-yl)methyl-prop-2-ynyl-amino]phenyl]carbonylamino]pentanedioic acid Openeye Name: (2R)-2-[[4-[(2-amino-3-methyl-4-oxo-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzoyl]amino]pentanedioic acid CAS Name: (2R)-2-[[[4-[(2-amino-3-methyl-4-oxo-6-quinazolinyl)methyl-prop-2-ynylamino]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: (2R)-2-[[4-[(2-amino-3-methyl-4-oxoquinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]pentanedioic acid Traditional Name: (2R)-2-[[4-[(2-amino-4-keto-3-methyl-quinazolin-6-yl)methyl-propargyl-amino]benzoyl]amino]glutaric acid Formula: C25H25N5O6 MolecularWeight: 491.4959

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C=CC(=C2)CN(CC#C)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O)N=C1N

Isomeric SMILES

CN1C(=O)C2=C(C=CC(=C2)CN(CC#C)C3=CC=C(C=C3)C(=O)N[C@H](CCC(=O)O)C(=O)O)N=C1N

InChI

InChI=1S/C25H25N5O6/c1-3-12-30(14-15-4-9-19-18(13-15)23(34)29(2)25(26)28-19)17-7-5-16(6-8-17)22(33)27-20(24(35)36)10-11-21(31)32/h1,4-9,13,20H,10-12,14H2,2H3,(H2,26,28)(H,27,33)(H,31,32)(H,35,36)/t20-/m1/s1