N-[3-heptan-4-ylsulfonyl-1-[[4-(2-methoxyethylamino)-3-oxidanyl-5-oxidanylidene-5-(phenethylamino)-1-phenyl-pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]pyridine-3-carboxamide

Systemtic Name: N-[3-heptan-4-ylsulfonyl-1-[[4-(2-methoxyethylamino)-3-oxidanyl-5-oxidanylidene-5-(phenethylamino)-1-phenyl-pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]pyridine-3-carboxamide Openeye Name: N-[2-[[1-benzyl-2-hydroxy-3-(2-methoxyethylamino)-4-oxo-4-(phenethylamino)butyl]amino]-2-oxo-1-(1-propylbutylsulfonylmethyl)ethyl]pyridine-3-carboxamide CAS Name: N-[3-heptan-4-ylsulfonyl-1-[[3-hydroxy-4-(2-methoxyethylamino)-5-oxo-5-(phenethylamino)-1-phenylpentan-2-yl]amino]-1-oxopropan-2-yl]-3-pyridinecarboxamide IUPAC Name: N-[3-heptan-4-ylsulfonyl-1-[[3-hydroxy-4-(2-methoxyethylamino)-5-oxo-5-(phenethylamino)-1-phenylpentan-2-yl]amino]-1-oxopropan-2-yl]pyridine-3-carboxamide Traditional Name: N-[2-[[1-benzyl-2-hydroxy-4-keto-3-(2-methoxyethylamino)-4-(phenethylamino)butyl]amino]-2-keto-1-(1-propylbutylsulfonylmethyl)ethyl]nicotinamide Formula: C38H53N5O7S MolecularWeight: 723.92172

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)S(=O)(=O)CC(C(=O)NC(CC1=CC=CC=C1)C(C(C(=O)NCCC2=CC=CC=C2)NCCOC)O)NC(=O)C3=CN=CC=C3

Isomeric SMILES

CCCC(CCC)S(=O)(=O)CC(C(=O)NC(CC1=CC=CC=C1)C(C(C(=O)NCCC2=CC=CC=C2)NCCOC)O)NC(=O)C3=CN=CC=C3

InChI

InChI=1S/C38H53N5O7S/c1-4-13-31(14-5-2)51(48,49)27-33(43-36(45)30-19-12-21-39-26-30)37(46)42-32(25-29-17-10-7-11-18-29)35(44)34(40-23-24-50-3)38(47)41-22-20-28-15-8-6-9-16-28/h6-12,15-19,21,26,31-35,40,44H,4-5,13-14,20,22-25,27H2,1-3H3,(H,41,47)(H,42,46)(H,43,45)