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

Systemtic Name: N-[1-[[5-acetamido-3,4-bis(oxidanyl)-1-phenyl-nonan-2-yl]amino]-1-oxidanylidene-octan-2-yl]pyridine-3-carboxamide Openeye Name: N-[1-[(4-acetamido-1-benzyl-2,3-dihydroxy-octyl)carbamoyl]heptyl]pyridine-3-carboxamide CAS Name: N-[1-[(5-acetamido-3,4-dihydroxy-1-phenylnonan-2-yl)amino]-1-oxooctan-2-yl]-3-pyridinecarboxamide IUPAC Name: N-[1-[(5-acetamido-3,4-dihydroxy-1-phenylnonan-2-yl)amino]-1-oxooctan-2-yl]pyridine-3-carboxamide Traditional Name: N-[1-[(4-acetamido-1-benzyl-2,3-dihydroxy-octyl)carbamoyl]heptyl]nicotinamide Formula: C31H46N4O5 MolecularWeight: 554.72074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H46N4O5/c1-4-6-8-12-18-26(34-30(39)24-16-13-19-32-21-24)31(40)35-27(20-23-14-10-9-11-15-23)29(38)28(37)25(17-7-5-2)33-22(3)36/h9-11,13-16,19,21,25-29,37-38H,4-8,12,17-18,20H2,1-3H3,(H,33,36)(H,34,39)(H,35,40)