2-[[4-[(2-azanyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-(3-oxidanylpropyl)amino]phenyl]carbonylamino]pentanedioic acid

Systemtic Name: 2-[[4-[(2-azanyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-(3-oxidanylpropyl)amino]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[(2-amino-4-oxo-1H-quinazolin-6-yl)methyl-(3-hydroxypropyl)amino]benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[(2-amino-4-oxo-1H-quinazolin-6-yl)methyl-(3-hydroxypropyl)amino]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[(2-amino-4-oxo-1H-quinazolin-6-yl)methyl-(3-hydroxypropyl)amino]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[(2-amino-4-keto-1H-quinazolin-6-yl)methyl-(3-hydroxypropyl)amino]benzoyl]amino]glutaric acid Formula: C24H27N5O7 MolecularWeight: 497.50048

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)N(CCCO)CC2=CC3=C(C=C2)NC(=NC3=O)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)N(CCCO)CC2=CC3=C(C=C2)NC(=NC3=O)N

InChI

InChI=1S/C24H27N5O7/c25-24-27-18-7-2-14(12-17(18)22(34)28-24)13-29(10-1-11-30)16-5-3-15(4-6-16)21(33)26-19(23(35)36)8-9-20(31)32/h2-7,12,19,30H,1,8-11,13H2,(H,26,33)(H,31,32)(H,35,36)(H3,25,27,28,34)