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

Systemtic Name: N1-[5-acetamido-7-methylsulfanyl-3,4-bis(oxidanyl)-1-phenyl-heptan-2-yl]-N3,N3-dipropyl-benzene-1,3,5-tricarboxamide Openeye Name: N1-(4-acetamido-1-benzyl-2,3-dihydroxy-6-methylsulfanyl-hexyl)-N3,N3-dipropyl-benzene-1,3,5-tricarboxamide CAS Name: N1-[5-acetamido-3,4-dihydroxy-7-(methylthio)-1-phenylheptan-2-yl]-N3,N3-dipropylbenzene-1,3,5-tricarboxamide IUPAC Name: 1-N-(5-acetamido-3,4-dihydroxy-7-methylsulfanyl-1-phenylheptan-2-yl)-3-N,3-N-dipropylbenzene-1,3,5-tricarboxamide Traditional Name: N1-[4-acetamido-1-benzyl-2,3-dihydroxy-6-(methylthio)hexyl]-N3,N3-dipropyl-benzene-1,3,5-tricarboxamide Formula: C31H44N4O6S MolecularWeight: 600.76926

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

InChI

InChI=1S/C31H44N4O6S/c1-5-13-35(14-6-2)31(41)24-18-22(29(32)39)17-23(19-24)30(40)34-26(16-21-10-8-7-9-11-21)28(38)27(37)25(12-15-42-4)33-20(3)36/h7-11,17-19,25-28,37-38H,5-6,12-16H2,1-4H3,(H2,32,39)(H,33,36)(H,34,40)