N'-[(1-carbamimidoylpiperidin-3-yl)methyl]-N-cyclopropyl-2-(naphthalen-2-ylsulfonylamino)-N-(3-oxidanylidenebutyl)butanediamide

Systemtic Name: N'-[(1-carbamimidoylpiperidin-3-yl)methyl]-N-cyclopropyl-2-(naphthalen-2-ylsulfonylamino)-N-(3-oxidanylidenebutyl)butanediamide Openeye Name: N'-[(1-carbamimidoyl-3-piperidyl)methyl]-N-cyclopropyl-2-(2-naphthylsulfonylamino)-N-(3-oxobutyl)butanediamide CAS Name: N'-[(1-carbamimidoyl-3-piperidinyl)methyl]-N-cyclopropyl-2-(2-naphthalenylsulfonylamino)-N-(3-oxobutyl)butanediamide IUPAC Name: N'-[(1-carbamimidoylpiperidin-3-yl)methyl]-N-cyclopropyl-2-(naphthalen-2-ylsulfonylamino)-N-(3-oxobutyl)butanediamide Traditional Name: N'-[(1-amidino-3-piperidyl)methyl]-N-cyclopropyl-N-(3-ketobutyl)-2-(2-naphthylsulfonylamino)succinamide Formula: C28H38N6O5S MolecularWeight: 570.70352

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCN(C1CC1)C(=O)C(CC(=O)NCC2CCCN(C2)C(=N)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC(=O)CCN(C1CC1)C(=O)C(CC(=O)NCC2CCCN(C2)C(=N)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C28H38N6O5S/c1-19(35)12-14-34(23-9-10-23)27(37)25(16-26(36)31-17-20-5-4-13-33(18-20)28(29)30)32-40(38,39)24-11-8-21-6-2-3-7-22(21)15-24/h2-3,6-8,11,15,20,23,25,32H,4-5,9-10,12-14,16-18H2,1H3,(H3,29,30)(H,31,36)