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

Systemtic Name: N-[1-[[5-benzamido-6-cyano-3,4-bis(oxidanyl)-1-phenyl-hexan-2-yl]amino]-1-oxidanylidene-5-propyl-octan-2-yl]pyridine-3-carboxamide Openeye Name: N-[1-[(4-benzamido-1-benzyl-5-cyano-2,3-dihydroxy-pentyl)carbamoyl]-4-propyl-heptyl]pyridine-3-carboxamide CAS Name: N-[1-[(5-benzamido-6-cyano-3,4-dihydroxy-1-phenylhexan-2-yl)amino]-1-oxo-5-propyloctan-2-yl]-3-pyridinecarboxamide IUPAC Name: N-[1-[(5-benzamido-6-cyano-3,4-dihydroxy-1-phenylhexan-2-yl)amino]-1-oxo-5-propyloctan-2-yl]pyridine-3-carboxamide Traditional Name: N-[1-[(4-benzamido-1-benzyl-5-cyano-2,3-dihydroxy-pentyl)carbamoyl]-4-propyl-heptyl]nicotinamide Formula: C37H47N5O5 MolecularWeight: 641.79958

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)CCC(C(=O)NC(CC1=CC=CC=C1)C(C(C(CC#N)NC(=O)C2=CC=CC=C2)O)O)NC(=O)C3=CN=CC=C3

Isomeric SMILES

CCCC(CCC)CCC(C(=O)NC(CC1=CC=CC=C1)C(C(C(CC#N)NC(=O)C2=CC=CC=C2)O)O)NC(=O)C3=CN=CC=C3

InChI

InChI=1S/C37H47N5O5/c1-3-12-26(13-4-2)19-20-31(41-36(46)29-18-11-23-39-25-29)37(47)42-32(24-27-14-7-5-8-15-27)34(44)33(43)30(21-22-38)40-35(45)28-16-9-6-10-17-28/h5-11,14-18,23,25-26,30-34,43-44H,3-4,12-13,19-21,24H2,1-2H3,(H,40,45)(H,41,46)(H,42,47)