[2-[(2-azanyl-3-methyl-butanoyl)-methylsulfonyl-amino]-3-(4-phenylbutyl)oxiran-2-yl]sulfonyl-tert-butyl-(2-isoquinolin-5-yloxyethanoyl)-methyl-azanium

Systemtic Name: [2-[(2-azanyl-3-methyl-butanoyl)-methylsulfonyl-amino]-3-(4-phenylbutyl)oxiran-2-yl]sulfonyl-tert-butyl-(2-isoquinolin-5-yloxyethanoyl)-methyl-azanium Openeye Name: [2-[(2-amino-3-methyl-butanoyl)-methylsulfonyl-amino]-3-(4-phenylbutyl)oxiran-2-yl]sulfonyl-tert-butyl-[2-(5-isoquinolyloxy)acetyl]-methyl-ammonium CAS Name: [2-[(2-amino-3-methyl-1-oxobutyl)-methylsulfonylamino]-3-(4-phenylbutyl)-2-oxiranyl]sulfonyl-tert-butyl-[2-(5-isoquinolinyloxy)-1-oxoethyl]-methylammonium IUPAC Name: [2-[(2-amino-3-methylbutanoyl)-methylsulfonylamino]-3-(4-phenylbutyl)oxiran-2-yl]sulfonyl-tert-butyl-(2-isoquinolin-5-yloxyacetyl)-methylazanium Traditional Name: [2-[(2-amino-3-methyl-butanoyl)-mesyl-amino]-3-(4-phenylbutyl)oxiran-2-yl]sulfonyl-tert-butyl-[2-(5-isoquinolyloxy)acetyl]-methyl-ammonium Formula: C34H47N4O8S2+ MolecularWeight: 703.88898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N(C1(C(O1)CCCCC2=CC=CC=C2)S(=O)(=O)[N+](C)(C(=O)COC3=CC=CC4=C3C=CN=C4)C(C)(C)C)S(=O)(=O)C)N

Isomeric SMILES

CC(C)C(C(=O)N(C1(C(O1)CCCCC2=CC=CC=C2)S(=O)(=O)[N+](C)(C(=O)COC3=CC=CC4=C3C=CN=C4)C(C)(C)C)S(=O)(=O)C)N

InChI

InChI=1S/C34H47N4O8S2/c1-24(2)31(35)32(40)37(47(7,41)42)34(29(46-34)19-12-11-16-25-14-9-8-10-15-25)48(43,44)38(6,33(3,4)5)30(39)23-45-28-18-13-17-26-22-36-21-20-27(26)28/h8-10,13-15,17-18,20-22,24,29,31H,11-12,16,19,23,35H2,1-7H3/q+1