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

Systemtic Name: N1-[5-acetamido-3,4-bis(oxidanyl)-1-phenyl-hexan-2-yl]-N3,N3-dipropyl-benzene-1,3,5-tricarboxamide Openeye Name: N1-(4-acetamido-1-benzyl-2,3-dihydroxy-pentyl)-N3,N3-dipropyl-benzene-1,3,5-tricarboxamide CAS Name: N1-(5-acetamido-3,4-dihydroxy-1-phenylhexan-2-yl)-N3,N3-dipropylbenzene-1,3,5-tricarboxamide IUPAC Name: 1-N-(5-acetamido-3,4-dihydroxy-1-phenylhexan-2-yl)-3-N,3-N-dipropylbenzene-1,3,5-tricarboxamide Traditional Name: N1-(4-acetamido-1-benzyl-2,3-dihydroxy-pentyl)-N3,N3-dipropyl-benzene-1,3,5-tricarboxamide Formula: C29H40N4O6 MolecularWeight: 540.6511

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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(C)NC(=O)C)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(C)NC(=O)C)O)O)C(=O)N

InChI

InChI=1S/C29H40N4O6/c1-5-12-33(13-6-2)29(39)23-16-21(27(30)37)15-22(17-23)28(38)32-24(14-20-10-8-7-9-11-20)26(36)25(35)18(3)31-19(4)34/h7-11,15-18,24-26,35-36H,5-6,12-14H2,1-4H3,(H2,30,37)(H,31,34)(H,32,38)