N-[1-[[5-benzamido-7-methylsulfanyl-3,4-bis(oxidanyl)-1-phenyl-heptan-2-yl]amino]-1-oxidanylidene-octan-2-yl]pyridine-3-carboxamide

Systemtic Name: N-[1-[[5-benzamido-7-methylsulfanyl-3,4-bis(oxidanyl)-1-phenyl-heptan-2-yl]amino]-1-oxidanylidene-octan-2-yl]pyridine-3-carboxamide Openeye Name: N-[1-[(4-benzamido-1-benzyl-2,3-dihydroxy-6-methylsulfanyl-hexyl)carbamoyl]heptyl]pyridine-3-carboxamide CAS Name: N-[1-[[5-benzamido-3,4-dihydroxy-7-(methylthio)-1-phenylheptan-2-yl]amino]-1-oxooctan-2-yl]-3-pyridinecarboxamide IUPAC Name: N-[1-[(5-benzamido-3,4-dihydroxy-7-methylsulfanyl-1-phenylheptan-2-yl)amino]-1-oxooctan-2-yl]pyridine-3-carboxamide Traditional Name: N-[1-[[4-benzamido-1-benzyl-2,3-dihydroxy-6-(methylthio)hexyl]carbamoyl]heptyl]nicotinamide Formula: C35H46N4O5S MolecularWeight: 634.82854

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)NC(CC1=CC=CC=C1)C(C(C(CCSC)NC(=O)C2=CC=CC=C2)O)O)NC(=O)C3=CN=CC=C3

Isomeric SMILES

CCCCCCC(C(=O)NC(CC1=CC=CC=C1)C(C(C(CCSC)NC(=O)C2=CC=CC=C2)O)O)NC(=O)C3=CN=CC=C3

InChI

InChI=1S/C35H46N4O5S/c1-3-4-5-12-19-29(38-34(43)27-18-13-21-36-24-27)35(44)39-30(23-25-14-8-6-9-15-25)32(41)31(40)28(20-22-45-2)37-33(42)26-16-10-7-11-17-26/h6-11,13-18,21,24,28-32,40-41H,3-5,12,19-20,22-23H2,1-2H3,(H,37,42)(H,38,43)(H,39,44)