N-[1-[[5-acetamido-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-acetamido-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-acetamido-1-benzyl-5-cyano-2,3-dihydroxy-pentyl)carbamoyl]-4-propyl-heptyl]pyridine-3-carboxamide CAS Name: N-[1-[(5-acetamido-6-cyano-3,4-dihydroxy-1-phenylhexan-2-yl)amino]-1-oxo-5-propyloctan-2-yl]-3-pyridinecarboxamide IUPAC Name: N-[1-[(5-acetamido-6-cyano-3,4-dihydroxy-1-phenylhexan-2-yl)amino]-1-oxo-5-propyloctan-2-yl]pyridine-3-carboxamide Traditional Name: N-[1-[(4-acetamido-1-benzyl-5-cyano-2,3-dihydroxy-pentyl)carbamoyl]-4-propyl-heptyl]nicotinamide Formula: C32H45N5O5 MolecularWeight: 579.7302

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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)C)O)O)NC(=O)C2=CN=CC=C2

Isomeric SMILES

CCCC(CCC)CCC(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/C32H45N5O5/c1-4-10-23(11-5-2)15-16-27(36-31(41)25-14-9-19-34-21-25)32(42)37-28(20-24-12-7-6-8-13-24)30(40)29(39)26(17-18-33)35-22(3)38/h6-9,12-14,19,21,23,26-30,39-40H,4-5,10-11,15-17,20H2,1-3H3,(H,35,38)(H,36,41)(H,37,42)