5-[2-azanylethyl-[(2,4-dimethoxyquinazolin-6-yl)methyl]amino]oxy-4-benzamido-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[2-azanylethyl-[(2,4-dimethoxyquinazolin-6-yl)methyl]amino]oxy-4-benzamido-5-oxidanylidene-pentanoic acid Openeye Name: 5-[2-aminoethyl-[(2,4-dimethoxyquinazolin-6-yl)methyl]amino]oxy-4-benzamido-5-oxo-pentanoic acid CAS Name: 5-[2-aminoethyl-[(2,4-dimethoxy-6-quinazolinyl)methyl]amino]oxy-4-benzamido-5-oxopentanoic acid IUPAC Name: 5-[2-aminoethyl-[(2,4-dimethoxyquinazolin-6-yl)methyl]amino]oxy-4-benzamido-5-oxopentanoic acid Traditional Name: 5-[2-aminoethyl-[(2,4-dimethoxyquinazolin-6-yl)methyl]amino]oxy-4-benzamido-5-keto-valeric acid Formula: C25H29N5O7 MolecularWeight: 511.52706

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC2=C1C=C(C=C2)CN(CCN)OC(=O)C(CCC(=O)O)NC(=O)C3=CC=CC=C3)OC

Isomeric SMILES

COC1=NC(=NC2=C1C=C(C=C2)CN(CCN)OC(=O)C(CCC(=O)O)NC(=O)C3=CC=CC=C3)OC

InChI

InChI=1S/C25H29N5O7/c1-35-23-18-14-16(8-9-19(18)28-25(29-23)36-2)15-30(13-12-26)37-24(34)20(10-11-21(31)32)27-22(33)17-6-4-3-5-7-17/h3-9,14,20H,10-13,15,26H2,1-2H3,(H,27,33)(H,31,32)