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

Systemtic Name: N1-[5-benzamido-7-methylsulfanyl-3,4-bis(oxidanyl)-1-phenyl-heptan-2-yl]-N3,N3-dipropyl-benzene-1,3,5-tricarboxamide Openeye Name: N1-(4-benzamido-1-benzyl-2,3-dihydroxy-6-methylsulfanyl-hexyl)-N3,N3-dipropyl-benzene-1,3,5-tricarboxamide CAS Name: N1-[5-benzamido-3,4-dihydroxy-7-(methylthio)-1-phenylheptan-2-yl]-N3,N3-dipropylbenzene-1,3,5-tricarboxamide IUPAC Name: 1-N-(5-benzamido-3,4-dihydroxy-7-methylsulfanyl-1-phenylheptan-2-yl)-3-N,3-N-dipropylbenzene-1,3,5-tricarboxamide Traditional Name: N1-[4-benzamido-1-benzyl-2,3-dihydroxy-6-(methylthio)hexyl]-N3,N3-dipropyl-benzene-1,3,5-tricarboxamide Formula: C36H46N4O6S MolecularWeight: 662.83864

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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(CCSC)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(CCSC)NC(=O)C3=CC=CC=C3)O)O)C(=O)N

InChI

InChI=1S/C36H46N4O6S/c1-4-17-40(18-5-2)36(46)28-22-26(33(37)43)21-27(23-28)35(45)39-30(20-24-12-8-6-9-13-24)32(42)31(41)29(16-19-47-3)38-34(44)25-14-10-7-11-15-25/h6-15,21-23,29-32,41-42H,4-5,16-20H2,1-3H3,(H2,37,43)(H,38,44)(H,39,45)