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

Systemtic Name: N-[1-[[5-acetamido-3,4-bis(oxidanyl)-1-phenyl-hexan-2-yl]amino]-1-oxidanylidene-octan-2-yl]pyridine-3-carboxamide Openeye Name: N-[1-[(4-acetamido-1-benzyl-2,3-dihydroxy-pentyl)carbamoyl]heptyl]pyridine-3-carboxamide CAS Name: N-[1-[(5-acetamido-3,4-dihydroxy-1-phenylhexan-2-yl)amino]-1-oxooctan-2-yl]-3-pyridinecarboxamide IUPAC Name: N-[1-[(5-acetamido-3,4-dihydroxy-1-phenylhexan-2-yl)amino]-1-oxooctan-2-yl]pyridine-3-carboxamide Traditional Name: N-[1-[(4-acetamido-1-benzyl-2,3-dihydroxy-pentyl)carbamoyl]heptyl]nicotinamide Formula: C28H40N4O5 MolecularWeight: 512.641

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H40N4O5/c1-4-5-6-10-15-23(31-27(36)22-14-11-16-29-18-22)28(37)32-24(17-21-12-8-7-9-13-21)26(35)25(34)19(2)30-20(3)33/h7-9,11-14,16,18-19,23-26,34-35H,4-6,10,15,17H2,1-3H3,(H,30,33)(H,31,36)(H,32,37)