5-benzamido-8-[(4,6-dimethylpyrimidin-2-yl)amino]-4-oxidanylidene-2-(phenylmethyl)octanoic acid

Systemtic Name: 5-benzamido-8-[(4,6-dimethylpyrimidin-2-yl)amino]-4-oxidanylidene-2-(phenylmethyl)octanoic acid Openeye Name: 5-benzamido-2-benzyl-8-[(4,6-dimethylpyrimidin-2-yl)amino]-4-oxo-octanoic acid CAS Name: 5-benzamido-8-[(4,6-dimethyl-2-pyrimidinyl)amino]-4-oxo-2-(phenylmethyl)octanoic acid IUPAC Name: 5-benzamido-2-benzyl-8-[(4,6-dimethylpyrimidin-2-yl)amino]-4-oxooctanoic acid Traditional Name: 5-benzamido-2-benzyl-8-[(4,6-dimethylpyrimidin-2-yl)amino]-4-keto-caprylic acid Formula: C28H32N4O4 MolecularWeight: 488.57808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NCCCC(C(=O)CC(CC2=CC=CC=C2)C(=O)O)NC(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=NC(=N1)NCCCC(C(=O)CC(CC2=CC=CC=C2)C(=O)O)NC(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C28H32N4O4/c1-19-16-20(2)31-28(30-19)29-15-9-14-24(32-26(34)22-12-7-4-8-13-22)25(33)18-23(27(35)36)17-21-10-5-3-6-11-21/h3-8,10-13,16,23-24H,9,14-15,17-18H2,1-2H3,(H,32,34)(H,35,36)(H,29,30,31)