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

Systemtic Name: N1-[5-benzamido-7-methylsulfanyl-3,4-bis(oxidanyl)-1-phenyl-heptan-2-yl]-5-methyl-N3,N3-dipropyl-benzene-1,3-dicarboxamide Openeye Name: N1-(4-benzamido-1-benzyl-2,3-dihydroxy-6-methylsulfanyl-hexyl)-5-methyl-N3,N3-dipropyl-benzene-1,3-dicarboxamide CAS Name: N1-[5-benzamido-3,4-dihydroxy-7-(methylthio)-1-phenylheptan-2-yl]-5-methyl-N3,N3-dipropylbenzene-1,3-dicarboxamide IUPAC Name: 1-N-(5-benzamido-3,4-dihydroxy-7-methylsulfanyl-1-phenylheptan-2-yl)-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide Traditional Name: N-[4-benzamido-1-benzyl-2,3-dihydroxy-6-(methylthio)hexyl]-5-methyl-N',N'-dipropyl-isophthalamide Formula: C36H47N3O5S MolecularWeight: 633.84048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H47N3O5S/c1-5-18-39(19-6-2)36(44)29-22-25(3)21-28(24-29)35(43)38-31(23-26-13-9-7-10-14-26)33(41)32(40)30(17-20-45-4)37-34(42)27-15-11-8-12-16-27/h7-16,21-22,24,30-33,40-41H,5-6,17-20,23H2,1-4H3,(H,37,42)(H,38,43)