5-[[[4-(1-adamantylmethylcarbamoyl)pyridin-3-yl]carbonyl-phenethyl-carbamoyl]amino]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[[[4-(1-adamantylmethylcarbamoyl)pyridin-3-yl]carbonyl-phenethyl-carbamoyl]amino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[[[4-(1-adamantylmethylcarbamoyl)pyridine-3-carbonyl]-phenethyl-carbamoyl]amino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[[[[4-[(1-adamantylmethylamino)-oxomethyl]-3-pyridinyl]-oxomethyl]-phenethylamino]-oxomethyl]amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[[[4-(1-adamantylmethylcarbamoyl)pyridine-3-carbonyl]-phenethylcarbamoyl]amino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[[[4-(1-adamantylmethylcarbamoyl)nicotinoyl]-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(C=NC=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(C=NC=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(37-20-35-16-22-10-23(17-35)12-24(11-22)18-35)28-6-8-36-19-29(28)31(41)39(9-7-21-4-2-1-3-5-21)34(46)38-27-14-25(32(42)43)13-26(15-27)33(44)45/h1-6,8,13-15,19,22-24H,7,9-12,16-18,20H2,(H,37,40)(H,38,46)(H,42,43)(H,44,45)