N-[1-[[5-benzamido-3,4-bis(oxidanyl)-1-phenyl-nonan-2-yl]amino]-1-oxidanylidene-octan-2-yl]pyridine-3-carboxamide

Systemtic Name: N-[1-[[5-benzamido-3,4-bis(oxidanyl)-1-phenyl-nonan-2-yl]amino]-1-oxidanylidene-octan-2-yl]pyridine-3-carboxamide Openeye Name: N-[1-[(4-benzamido-1-benzyl-2,3-dihydroxy-octyl)carbamoyl]heptyl]pyridine-3-carboxamide CAS Name: N-[1-[(5-benzamido-3,4-dihydroxy-1-phenylnonan-2-yl)amino]-1-oxooctan-2-yl]-3-pyridinecarboxamide IUPAC Name: N-[1-[(5-benzamido-3,4-dihydroxy-1-phenylnonan-2-yl)amino]-1-oxooctan-2-yl]pyridine-3-carboxamide Traditional Name: N-[1-[(4-benzamido-1-benzyl-2,3-dihydroxy-octyl)carbamoyl]heptyl]nicotinamide Formula: C36H48N4O5 MolecularWeight: 616.79012

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)NC(CC1=CC=CC=C1)C(C(C(CCCC)NC(=O)C2=CC=CC=C2)O)O)NC(=O)C3=CN=CC=C3

Isomeric SMILES

CCCCCCC(C(=O)NC(CC1=CC=CC=C1)C(C(C(CCCC)NC(=O)C2=CC=CC=C2)O)O)NC(=O)C3=CN=CC=C3

InChI

InChI=1S/C36H48N4O5/c1-3-5-7-14-22-30(39-35(44)28-20-15-23-37-25-28)36(45)40-31(24-26-16-10-8-11-17-26)33(42)32(41)29(21-6-4-2)38-34(43)27-18-12-9-13-19-27/h8-13,15-20,23,25,29-33,41-42H,3-7,14,21-22,24H2,1-2H3,(H,38,43)(H,39,44)(H,40,45)