5-[[[3-(1-adamantylmethylcarbamoyl)pyridin-2-yl]carbonyl-phenethyl-carbamoyl]amino]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[[[3-(1-adamantylmethylcarbamoyl)pyridin-2-yl]carbonyl-phenethyl-carbamoyl]amino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[[[3-(1-adamantylmethylcarbamoyl)pyridine-2-carbonyl]-phenethyl-carbamoyl]amino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[[[[3-[(1-adamantylmethylamino)-oxomethyl]-2-pyridinyl]-oxomethyl]-phenethylamino]-oxomethyl]amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[[[3-(1-adamantylmethylcarbamoyl)pyridine-2-carbonyl]-phenethylcarbamoyl]amino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[[[3-(1-adamantylmethylcarbamoyl)picolinoyl]-phenethyl-carbamoyl]amino]isophthalic acid Formula: C35H36N4O7 MolecularWeight: 624.68294

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=C(N=CC=C4)C(=O)N(CCC5=CC=CC=C5)C(=O)NC6=CC(=CC(=C6)C(=O)O)C(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=C(N=CC=C4)C(=O)N(CCC5=CC=CC=C5)C(=O)NC6=CC(=CC(=C6)C(=O)O)C(=O)O

InChI

InChI=1S/C35H36N4O7/c40-30(37-20-35-17-22-11-23(18-35)13-24(12-22)19-35)28-7-4-9-36-29(28)31(41)39(10-8-21-5-2-1-3-6-21)34(46)38-27-15-25(32(42)43)14-26(16-27)33(44)45/h1-7,9,14-16,22-24H,8,10-13,17-20H2,(H,37,40)(H,38,46)(H,42,43)(H,44,45)