methyl 4-methyl-2-[3-[(phenylmethyl)-pyridin-3-ylcarbonyl-amino]propylsulfonylamino]pentanoate

Systemtic Name: methyl 4-methyl-2-[3-[(phenylmethyl)-pyridin-3-ylcarbonyl-amino]propylsulfonylamino]pentanoate Openeye Name: methyl 2-[3-[benzyl(pyridine-3-carbonyl)amino]propylsulfonylamino]-4-methyl-pentanoate CAS Name: 4-methyl-2-[3-[[oxo(3-pyridinyl)methyl]-(phenylmethyl)amino]propylsulfonylamino]pentanoic acid methyl ester IUPAC Name: methyl 2-[3-[benzyl(pyridine-3-carbonyl)amino]propylsulfonylamino]-4-methylpentanoate Traditional Name: 2-[3-[benzyl(nicotinoyl)amino]propylsulfonylamino]-4-methyl-valeric acid methyl ester Formula: C23H31N3O5S MolecularWeight: 461.57434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NS(=O)(=O)CCCN(CC1=CC=CC=C1)C(=O)C2=CN=CC=C2

Isomeric SMILES

CC(C)CC(C(=O)OC)NS(=O)(=O)CCCN(CC1=CC=CC=C1)C(=O)C2=CN=CC=C2

InChI

InChI=1S/C23H31N3O5S/c1-18(2)15-21(23(28)31-3)25-32(29,30)14-8-13-26(17-19-9-5-4-6-10-19)22(27)20-11-7-12-24-16-20/h4-7,9-12,16,18,21,25H,8,13-15,17H2,1-3H3