2-[[2-azanyl-2-(2-methylpropoxy)ethanoyl]-methyl-amino]propanoyl-methyl-[1-(methylamino)-1-oxidanylidene-3-thiophen-2-yl-propan-2-yl]-phenylmethoxy-azanium

Systemtic Name: 2-[[2-azanyl-2-(2-methylpropoxy)ethanoyl]-methyl-amino]propanoyl-methyl-[1-(methylamino)-1-oxidanylidene-3-thiophen-2-yl-propan-2-yl]-phenylmethoxy-azanium Openeye Name: 2-[(2-amino-2-isobutoxy-acetyl)-methyl-amino]propanoyl-benzyloxy-methyl-[2-(methylamino)-2-oxo-1-(2-thienylmethyl)ethyl]ammonium CAS Name: [2-[[2-amino-2-(2-methylpropoxy)-1-oxoethyl]-methylamino]-1-oxopropyl]-methyl-[1-(methylamino)-1-oxo-3-thiophen-2-ylpropan-2-yl]-phenylmethoxyammonium IUPAC Name: 2-[[2-amino-2-(2-methylpropoxy)acetyl]-methylamino]propanoyl-methyl-[1-(methylamino)-1-oxo-3-thiophen-2-ylpropan-2-yl]-phenylmethoxyazanium Traditional Name: 2-[(2-amino-2-isobutoxy-acetyl)-methyl-amino]propanoyl-benzoxy-[2-keto-2-(methylamino)-1-(2-thenyl)ethyl]-methyl-ammonium Formula: C26H39N4O5S+ MolecularWeight: 519.67666

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(C(=O)N(C)C(C)C(=O)[N+](C)(C(CC1=CC=CS1)C(=O)NC)OCC2=CC=CC=C2)N

Isomeric SMILES

CC(C)COC(C(=O)N(C)C(C)C(=O)[N+](C)(C(CC1=CC=CS1)C(=O)NC)OCC2=CC=CC=C2)N

InChI

InChI=1S/C26H38N4O5S/c1-18(2)16-34-23(27)25(32)29(5)19(3)26(33)30(6,35-17-20-11-8-7-9-12-20)22(24(31)28-4)15-21-13-10-14-36-21/h7-14,18-19,22-23H,15-17,27H2,1-6H3/p+1