N-[1-[[5-acetamido-6-cyano-3,4-bis(oxidanyl)-1-phenyl-hexan-2-yl]amino]-1-oxidanylidene-octan-2-yl]pyridine-3-carboxamide

Systemtic Name: N-[1-[[5-acetamido-6-cyano-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-5-cyano-2,3-dihydroxy-pentyl)carbamoyl]heptyl]pyridine-3-carboxamide CAS Name: N-[1-[(5-acetamido-6-cyano-3,4-dihydroxy-1-phenylhexan-2-yl)amino]-1-oxooctan-2-yl]-3-pyridinecarboxamide IUPAC Name: N-[1-[(5-acetamido-6-cyano-3,4-dihydroxy-1-phenylhexan-2-yl)amino]-1-oxooctan-2-yl]pyridine-3-carboxamide Traditional Name: N-[1-[(4-acetamido-1-benzyl-5-cyano-2,3-dihydroxy-pentyl)carbamoyl]heptyl]nicotinamide Formula: C29H39N5O5 MolecularWeight: 537.65046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H39N5O5/c1-3-4-5-9-14-24(33-28(38)22-13-10-17-31-19-22)29(39)34-25(18-21-11-7-6-8-12-21)27(37)26(36)23(15-16-30)32-20(2)35/h6-8,10-13,17,19,23-27,36-37H,3-5,9,14-15,18H2,1-2H3,(H,32,35)(H,33,38)(H,34,39)