tert-butyl N-[4-methyl-1-[[1-(4-methylpentanoyl)-3-oxidanyl-azepan-1-ium-4-yl]amino]-1-oxidanylidene-pentan-2-yl]carbamate

Systemtic Name: tert-butyl N-[4-methyl-1-[[1-(4-methylpentanoyl)-3-oxidanyl-azepan-1-ium-4-yl]amino]-1-oxidanylidene-pentan-2-yl]carbamate Openeye Name: tert-butyl N-[1-[[3-hydroxy-1-(4-methylpentanoyl)azepan-1-ium-4-yl]carbamoyl]-3-methyl-butyl]carbamate CAS Name: N-[1-[[3-hydroxy-1-(4-methyl-1-oxopentyl)-4-azepan-1-iumyl]amino]-4-methyl-1-oxopentan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[[3-hydroxy-1-(4-methylpentanoyl)azepan-1-ium-4-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate Traditional Name: N-[1-[[3-hydroxy-1-(4-methylpentanoyl)azepan-1-ium-4-yl]carbamoyl]-3-methyl-butyl]carbamic acid tert-butyl ester Formula: C23H44N3O5+ MolecularWeight: 442.61256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=O)[NH+]1CCCC(C(C1)O)NC(=O)C(CC(C)C)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)CCC(=O)[NH+]1CCCC(C(C1)O)NC(=O)C(CC(C)C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C23H43N3O5/c1-15(2)10-11-20(28)26-12-8-9-17(19(27)14-26)24-21(29)18(13-16(3)4)25-22(30)31-23(5,6)7/h15-19,27H,8-14H2,1-7H3,(H,24,29)(H,25,30)/p+1