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

Systemtic Name: [2-[(2-azanyl-3-methyl-butanoyl)-methylsulfonyl-amino]-3-(4-phenylbutyl)oxiran-2-yl]sulfonyl-ethyl-propan-2-yl-quinolin-2-ylcarbonyl-azanium Openeye Name: [2-[(2-amino-3-methyl-butanoyl)-methylsulfonyl-amino]-3-(4-phenylbutyl)oxiran-2-yl]sulfonyl-ethyl-isopropyl-(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]-propan-2-ylammonium IUPAC Name: [2-[(2-amino-3-methylbutanoyl)-methylsulfonylamino]-3-(4-phenylbutyl)oxiran-2-yl]sulfonyl-ethyl-propan-2-yl-(quinoline-2-carbonyl)azanium Traditional Name: [2-[(2-amino-3-methyl-butanoyl)-mesyl-amino]-3-(4-phenylbutyl)oxiran-2-yl]sulfonyl-ethyl-isopropyl-quinaldoyl-ammonium Formula: C33H45N4O7S2+ MolecularWeight: 673.863

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C(C)C)(C(=O)C1=NC2=CC=CC=C2C=C1)S(=O)(=O)C3(C(O3)CCCCC4=CC=CC=C4)N(C(=O)C(C(C)C)N)S(=O)(=O)C

Isomeric SMILES

CC[N+](C(C)C)(C(=O)C1=NC2=CC=CC=C2C=C1)S(=O)(=O)C3(C(O3)CCCCC4=CC=CC=C4)N(C(=O)C(C(C)C)N)S(=O)(=O)C

InChI

InChI=1S/C33H45N4O7S2/c1-7-37(24(4)5,32(39)28-22-21-26-18-12-13-19-27(26)35-28)46(42,43)33(36(45(6,40)41)31(38)30(34)23(2)3)29(44-33)20-14-11-17-25-15-9-8-10-16-25/h8-10,12-13,15-16,18-19,21-24,29-30H,7,11,14,17,20,34H2,1-6H3/q+1