N1-[7-methylsulfanyl-3,4-bis(oxidanyl)-1-phenyl-heptan-2-yl]-N3,N3-dipropyl-benzene-1,3,5-tricarboxamide

Systemtic Name: N1-[7-methylsulfanyl-3,4-bis(oxidanyl)-1-phenyl-heptan-2-yl]-N3,N3-dipropyl-benzene-1,3,5-tricarboxamide Openeye Name: N1-(1-benzyl-2,3-dihydroxy-6-methylsulfanyl-hexyl)-N3,N3-dipropyl-benzene-1,3,5-tricarboxamide CAS Name: N1-[3,4-dihydroxy-7-(methylthio)-1-phenylheptan-2-yl]-N3,N3-dipropylbenzene-1,3,5-tricarboxamide IUPAC Name: 1-N-(3,4-dihydroxy-7-methylsulfanyl-1-phenylheptan-2-yl)-3-N,3-N-dipropylbenzene-1,3,5-tricarboxamide Traditional Name: N1-[1-benzyl-2,3-dihydroxy-6-(methylthio)hexyl]-N3,N3-dipropyl-benzene-1,3,5-tricarboxamide Formula: C29H41N3O5S MolecularWeight: 543.71794

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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(CCCSC)O)O)C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C29H41N3O5S/c1-4-13-32(14-5-2)29(37)23-18-21(27(30)35)17-22(19-23)28(36)31-24(16-20-10-7-6-8-11-20)26(34)25(33)12-9-15-38-3/h6-8,10-11,17-19,24-26,33-34H,4-5,9,12-16H2,1-3H3,(H2,30,35)(H,31,36)