N-[1-[[5-benzamido-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-benzamido-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-benzamido-1-benzyl-2,3-dihydroxy-6-methylsulfanyl-hexyl)carbamoyl]-4-propyl-heptyl]pyridine-3-carboxamide CAS Name: N-[1-[[5-benzamido-3,4-dihydroxy-7-(methylthio)-1-phenylheptan-2-yl]amino]-1-oxo-5-propyloctan-2-yl]-3-pyridinecarboxamide IUPAC Name: N-[1-[(5-benzamido-3,4-dihydroxy-7-methylsulfanyl-1-phenylheptan-2-yl)amino]-1-oxo-5-propyloctan-2-yl]pyridine-3-carboxamide Traditional Name: N-[1-[[4-benzamido-1-benzyl-2,3-dihydroxy-6-(methylthio)hexyl]carbamoyl]-4-propyl-heptyl]nicotinamide Formula: C38H52N4O5S MolecularWeight: 676.90828

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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)C2=CC=CC=C2)O)O)NC(=O)C3=CN=CC=C3

Isomeric SMILES

CCCC(CCC)CCC(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/C38H52N4O5S/c1-4-13-27(14-5-2)20-21-32(41-37(46)30-19-12-23-39-26-30)38(47)42-33(25-28-15-8-6-9-16-28)35(44)34(43)31(22-24-48-3)40-36(45)29-17-10-7-11-18-29/h6-12,15-19,23,26-27,31-35,43-44H,4-5,13-14,20-22,24-25H2,1-3H3,(H,40,45)(H,41,46)(H,42,47)