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

Systemtic Name: N-[1-[[5-acetamido-7-methylsulfanyl-3,4-bis(oxidanyl)-1-phenyl-heptan-2-yl]amino]-1-oxidanylidene-5-propyl-octan-2-yl]pyridine-3-carboxamide Openeye Name: N-[1-[(4-acetamido-1-benzyl-2,3-dihydroxy-6-methylsulfanyl-hexyl)carbamoyl]-4-propyl-heptyl]pyridine-3-carboxamide CAS Name: N-[1-[[5-acetamido-3,4-dihydroxy-7-(methylthio)-1-phenylheptan-2-yl]amino]-1-oxo-5-propyloctan-2-yl]-3-pyridinecarboxamide IUPAC Name: N-[1-[(5-acetamido-3,4-dihydroxy-7-methylsulfanyl-1-phenylheptan-2-yl)amino]-1-oxo-5-propyloctan-2-yl]pyridine-3-carboxamide Traditional Name: N-[1-[[4-acetamido-1-benzyl-2,3-dihydroxy-6-(methylthio)hexyl]carbamoyl]-4-propyl-heptyl]nicotinamide Formula: C33H50N4O5S MolecularWeight: 614.8389

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)CCC(C(=O)NC(CC1=CC=CC=C1)C(C(C(CCSC)NC(=O)C)O)O)NC(=O)C2=CN=CC=C2

Isomeric SMILES

CCCC(CCC)CCC(C(=O)NC(CC1=CC=CC=C1)C(C(C(CCSC)NC(=O)C)O)O)NC(=O)C2=CN=CC=C2

InChI

InChI=1S/C33H50N4O5S/c1-5-11-24(12-6-2)16-17-28(36-32(41)26-15-10-19-34-22-26)33(42)37-29(21-25-13-8-7-9-14-25)31(40)30(39)27(18-20-43-4)35-23(3)38/h7-10,13-15,19,22,24,27-31,39-40H,5-6,11-12,16-18,20-21H2,1-4H3,(H,35,38)(H,36,41)(H,37,42)