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

Systemtic Name: (2S)-2-[[4-[3-methoxypropyl-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl]amino]phenyl]carbonylamino]pentanedioic acid Openeye Name: (2S)-2-[[4-[3-methoxypropyl-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl]amino]benzoyl]amino]pentanedioic acid CAS Name: (2S)-2-[[[4-[3-methoxypropyl-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl]amino]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: (2S)-2-[[4-[3-methoxypropyl-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl]amino]benzoyl]amino]pentanedioic acid Traditional Name: (2S)-2-[[4-[(4-keto-2-methyl-1H-quinazolin-6-yl)methyl-(3-methoxypropyl)amino]benzoyl]amino]glutaric acid Formula: C26H30N4O7 MolecularWeight: 510.539

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CCCOC)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CCCOC)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O

InChI

InChI=1S/C26H30N4O7/c1-16-27-21-9-4-17(14-20(21)25(34)28-16)15-30(12-3-13-37-2)19-7-5-18(6-8-19)24(33)29-22(26(35)36)10-11-23(31)32/h4-9,14,22H,3,10-13,15H2,1-2H3,(H,29,33)(H,31,32)(H,35,36)(H,27,28,34)/t22-/m0/s1