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

Systemtic Name: (2S)-2-[[4-[2-methoxyethyl-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl]amino]phenyl]carbonylamino]pentanedioic acid Openeye Name: (2S)-2-[[4-[2-methoxyethyl-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl]amino]benzoyl]amino]pentanedioic acid CAS Name: (2S)-2-[[[4-[2-methoxyethyl-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl]amino]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: (2S)-2-[[4-[2-methoxyethyl-[(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-(2-methoxyethyl)amino]benzoyl]amino]glutaric acid Formula: C25H28N4O7 MolecularWeight: 496.51242

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C25H28N4O7/c1-15-26-20-8-3-16(13-19(20)24(33)27-15)14-29(11-12-36-2)18-6-4-17(5-7-18)23(32)28-21(25(34)35)9-10-22(30)31/h3-8,13,21H,9-12,14H2,1-2H3,(H,28,32)(H,30,31)(H,34,35)(H,26,27,33)/t21-/m0/s1