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

Systemtic Name: tert-butyl N-[4-methyl-1-oxidanylidene-1-[[3-oxidanyl-1-(phenylcarbonyl)azepan-1-ium-4-yl]amino]pentan-2-yl]carbamate Openeye Name: tert-butyl N-[1-[(1-benzoyl-3-hydroxy-azepan-1-ium-4-yl)carbamoyl]-3-methyl-butyl]carbamate CAS Name: N-[1-[(1-benzoyl-3-hydroxy-4-azepan-1-iumyl)amino]-4-methyl-1-oxopentan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[(1-benzoyl-3-hydroxyazepan-1-ium-4-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate Traditional Name: N-[1-[(1-benzoyl-3-hydroxy-azepan-1-ium-4-yl)carbamoyl]-3-methyl-butyl]carbamic acid tert-butyl ester Formula: C24H38N3O5+ MolecularWeight: 448.57562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1CCC[NH+](CC1O)C(=O)C2=CC=CC=C2)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)CC(C(=O)NC1CCC[NH+](CC1O)C(=O)C2=CC=CC=C2)NC(=O)OC(C)(C)C

InChI

InChI=1S/C24H37N3O5/c1-16(2)14-19(26-23(31)32-24(3,4)5)21(29)25-18-12-9-13-27(15-20(18)28)22(30)17-10-7-6-8-11-17/h6-8,10-11,16,18-20,28H,9,12-15H2,1-5H3,(H,25,29)(H,26,31)/p+1