N1-[5-benzamido-6-cyano-3,4-bis(oxidanyl)-1-phenyl-hexan-2-yl]-N3,N3-dipropyl-benzene-1,3,5-tricarboxamide

Systemtic Name: N1-[5-benzamido-6-cyano-3,4-bis(oxidanyl)-1-phenyl-hexan-2-yl]-N3,N3-dipropyl-benzene-1,3,5-tricarboxamide Openeye Name: N1-(4-benzamido-1-benzyl-5-cyano-2,3-dihydroxy-pentyl)-N3,N3-dipropyl-benzene-1,3,5-tricarboxamide CAS Name: N1-(5-benzamido-6-cyano-3,4-dihydroxy-1-phenylhexan-2-yl)-N3,N3-dipropylbenzene-1,3,5-tricarboxamide IUPAC Name: 1-N-(5-benzamido-6-cyano-3,4-dihydroxy-1-phenylhexan-2-yl)-3-N,3-N-dipropylbenzene-1,3,5-tricarboxamide Traditional Name: N1-(4-benzamido-1-benzyl-5-cyano-2,3-dihydroxy-pentyl)-N3,N3-dipropyl-benzene-1,3,5-tricarboxamide Formula: C35H41N5O6 MolecularWeight: 627.72994

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C(=O)C1=CC(=CC(=C1)C(=O)NC(CC2=CC=CC=C2)C(C(C(CC#N)NC(=O)C3=CC=CC=C3)O)O)C(=O)N

Isomeric SMILES

CCCN(CCC)C(=O)C1=CC(=CC(=C1)C(=O)NC(CC2=CC=CC=C2)C(C(C(CC#N)NC(=O)C3=CC=CC=C3)O)O)C(=O)N

InChI

InChI=1S/C35H41N5O6/c1-3-17-40(18-4-2)35(46)27-21-25(32(37)43)20-26(22-27)34(45)39-29(19-23-11-7-5-8-12-23)31(42)30(41)28(15-16-36)38-33(44)24-13-9-6-10-14-24/h5-14,20-22,28-31,41-42H,3-4,15,17-19H2,1-2H3,(H2,37,43)(H,38,44)(H,39,45)