[2-[(2-azanyl-3-methyl-butanoyl)-methylsulfonyl-amino]-3-(4-phenylbutyl)oxiran-2-yl]sulfonyl-ethyl-phenyl-quinolin-2-ylcarbonyl-azanium

Systemtic Name: [2-[(2-azanyl-3-methyl-butanoyl)-methylsulfonyl-amino]-3-(4-phenylbutyl)oxiran-2-yl]sulfonyl-ethyl-phenyl-quinolin-2-ylcarbonyl-azanium Openeye Name: [2-[(2-amino-3-methyl-butanoyl)-methylsulfonyl-amino]-3-(4-phenylbutyl)oxiran-2-yl]sulfonyl-ethyl-phenyl-(quinoline-2-carbonyl)ammonium CAS Name: [2-[(2-amino-3-methyl-1-oxobutyl)-methylsulfonylamino]-3-(4-phenylbutyl)-2-oxiranyl]sulfonyl-ethyl-[oxo(2-quinolinyl)methyl]-phenylammonium IUPAC Name: [2-[(2-amino-3-methylbutanoyl)-methylsulfonylamino]-3-(4-phenylbutyl)oxiran-2-yl]sulfonyl-ethyl-phenyl-(quinoline-2-carbonyl)azanium Traditional Name: [2-[(2-amino-3-methyl-butanoyl)-mesyl-amino]-3-(4-phenylbutyl)oxiran-2-yl]sulfonyl-ethyl-phenyl-quinaldoyl-ammonium Formula: C36H43N4O7S2+ MolecularWeight: 707.87922

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C1=CC=CC=C1)(C(=O)C2=NC3=CC=CC=C3C=C2)S(=O)(=O)C4(C(O4)CCCCC5=CC=CC=C5)N(C(=O)C(C(C)C)N)S(=O)(=O)C

Isomeric SMILES

CC[N+](C1=CC=CC=C1)(C(=O)C2=NC3=CC=CC=C3C=C2)S(=O)(=O)C4(C(O4)CCCCC5=CC=CC=C5)N(C(=O)C(C(C)C)N)S(=O)(=O)C

InChI

InChI=1S/C36H43N4O7S2/c1-5-40(29-20-10-7-11-21-29,35(42)31-25-24-28-19-13-14-22-30(28)38-31)49(45,46)36(39(48(4,43)44)34(41)33(37)26(2)3)32(47-36)23-15-12-18-27-16-8-6-9-17-27/h6-11,13-14,16-17,19-22,24-26,32-33H,5,12,15,18,23,37H2,1-4H3/q+1