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

Systemtic Name: N1-[6-methylsulfanyl-3,4-bis(oxidanyl)-1-phenyl-hexan-2-yl]-N3,N3-dipropyl-benzene-1,3,5-tricarboxamide Openeye Name: N1-(1-benzyl-2,3-dihydroxy-5-methylsulfanyl-pentyl)-N3,N3-dipropyl-benzene-1,3,5-tricarboxamide CAS Name: N1-[3,4-dihydroxy-6-(methylthio)-1-phenylhexan-2-yl]-N3,N3-dipropylbenzene-1,3,5-tricarboxamide IUPAC Name: 1-N-(3,4-dihydroxy-6-methylsulfanyl-1-phenylhexan-2-yl)-3-N,3-N-dipropylbenzene-1,3,5-tricarboxamide Traditional Name: N1-[1-benzyl-2,3-dihydroxy-5-(methylthio)pentyl]-N3,N3-dipropyl-benzene-1,3,5-tricarboxamide Formula: C28H39N3O5S MolecularWeight: 529.69136

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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(CCSC)O)O)C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C28H39N3O5S/c1-4-12-31(13-5-2)28(36)22-17-20(26(29)34)16-21(18-22)27(35)30-23(15-19-9-7-6-8-10-19)25(33)24(32)11-14-37-3/h6-10,16-18,23-25,32-33H,4-5,11-15H2,1-3H3,(H2,29,34)(H,30,35)