6-[[3-cyclopentyl-2-[4-(pyridin-3-ylcarbonylamino)phenyl]propanoyl]amino]pyridine-3-carboxylic acid

Systemtic Name: 6-[[3-cyclopentyl-2-[4-(pyridin-3-ylcarbonylamino)phenyl]propanoyl]amino]pyridine-3-carboxylic acid Openeye Name: 6-[[3-cyclopentyl-2-[4-(pyridine-3-carbonylamino)phenyl]propanoyl]amino]pyridine-3-carboxylic acid CAS Name: 6-[[3-cyclopentyl-1-oxo-2-[4-[[oxo(3-pyridinyl)methyl]amino]phenyl]propyl]amino]-3-pyridinecarboxylic acid IUPAC Name: 6-[[3-cyclopentyl-2-[4-(pyridine-3-carbonylamino)phenyl]propanoyl]amino]pyridine-3-carboxylic acid Traditional Name: 6-[[3-cyclopentyl-2-(4-nicotinamidophenyl)propanoyl]amino]nicotinic acid Formula: C26H26N4O4 MolecularWeight: 458.50904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CC(C2=CC=C(C=C2)NC(=O)C3=CN=CC=C3)C(=O)NC4=NC=C(C=C4)C(=O)O

Isomeric SMILES

C1CCC(C1)CC(C2=CC=C(C=C2)NC(=O)C3=CN=CC=C3)C(=O)NC4=NC=C(C=C4)C(=O)O

InChI

InChI=1S/C26H26N4O4/c31-24(19-6-3-13-27-15-19)29-21-10-7-18(8-11-21)22(14-17-4-1-2-5-17)25(32)30-23-12-9-20(16-28-23)26(33)34/h3,6-13,15-17,22H,1-2,4-5,14H2,(H,29,31)(H,33,34)(H,28,30,32)