N-[3-butylsulfonyl-1-[[4-(2-methoxyethylsulfanyl)-5-(2-methylpropylamino)-3-oxidanyl-5-oxidanylidene-1-phenyl-pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]pyridine-3-carboxamide

Systemtic Name: N-[3-butylsulfonyl-1-[[4-(2-methoxyethylsulfanyl)-5-(2-methylpropylamino)-3-oxidanyl-5-oxidanylidene-1-phenyl-pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]pyridine-3-carboxamide Openeye Name: N-[2-[[1-benzyl-2-hydroxy-4-(isobutylamino)-3-(2-methoxyethylsulfanyl)-4-oxo-butyl]amino]-1-(butylsulfonylmethyl)-2-oxo-ethyl]pyridine-3-carboxamide CAS Name: N-[3-butylsulfonyl-1-[[3-hydroxy-4-(2-methoxyethylthio)-5-(2-methylpropylamino)-5-oxo-1-phenylpentan-2-yl]amino]-1-oxopropan-2-yl]-3-pyridinecarboxamide IUPAC Name: N-[3-butylsulfonyl-1-[[3-hydroxy-4-(2-methoxyethylsulfanyl)-5-(2-methylpropylamino)-5-oxo-1-phenylpentan-2-yl]amino]-1-oxopropan-2-yl]pyridine-3-carboxamide Traditional Name: N-[2-[[1-benzyl-2-hydroxy-4-(isobutylamino)-4-keto-3-(2-methoxyethylthio)butyl]amino]-1-(butylsulfonylmethyl)-2-keto-ethyl]nicotinamide Formula: C31H46N4O7S2 MolecularWeight: 650.84954

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)CC(C(=O)NC(CC1=CC=CC=C1)C(C(C(=O)NCC(C)C)SCCOC)O)NC(=O)C2=CN=CC=C2

Isomeric SMILES

CCCCS(=O)(=O)CC(C(=O)NC(CC1=CC=CC=C1)C(C(C(=O)NCC(C)C)SCCOC)O)NC(=O)C2=CN=CC=C2

InChI

InChI=1S/C31H46N4O7S2/c1-5-6-17-44(40,41)21-26(35-29(37)24-13-10-14-32-20-24)30(38)34-25(18-23-11-8-7-9-12-23)27(36)28(43-16-15-42-4)31(39)33-19-22(2)3/h7-14,20,22,25-28,36H,5-6,15-19,21H2,1-4H3,(H,33,39)(H,34,38)(H,35,37)