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

Systemtic Name: (2S)-2-[[4-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]-2-oxidanyl-phenyl]carbonylamino]pentanedioic acid Openeye Name: (2S)-2-[[2-hydroxy-4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzoyl]amino]pentanedioic acid CAS Name: (2S)-2-[[[2-hydroxy-4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: (2S)-2-[[2-hydroxy-4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]pentanedioic acid Traditional Name: (2S)-2-[[2-hydroxy-4-[(4-keto-2-methyl-1H-quinazolin-6-yl)methyl-propargyl-amino]benzoyl]amino]glutaric acid Formula: C25H24N4O7 MolecularWeight: 492.48066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=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)O

Isomeric SMILES

CC1=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)O

InChI

InChI=1S/C25H24N4O7/c1-3-10-29(13-15-4-7-19-18(11-15)24(34)27-14(2)26-19)16-5-6-17(21(30)12-16)23(33)28-20(25(35)36)8-9-22(31)32/h1,4-7,11-12,20,30H,8-10,13H2,2H3,(H,28,33)(H,31,32)(H,35,36)(H,26,27,34)/t20-/m0/s1