tert-butyl N-[1-[1-[2-(cycloheptylamino)-1-oxidanyl-2-oxidanylidene-ethyl]pyrrolidin-1-ium-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[1-[1-[2-(cycloheptylamino)-1-oxidanyl-2-oxidanylidene-ethyl]pyrrolidin-1-ium-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate Openeye Name: tert-butyl N-[1-benzyl-2-[1-[2-(cycloheptylamino)-1-hydroxy-2-oxo-ethyl]pyrrolidin-1-ium-1-yl]-2-oxo-ethyl]carbamate CAS Name: N-[1-[1-[2-(cycloheptylamino)-1-hydroxy-2-oxoethyl]-1-pyrrolidin-1-iumyl]-1-oxo-3-phenylpropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[1-[2-(cycloheptylamino)-1-hydroxy-2-oxoethyl]pyrrolidin-1-ium-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamate Traditional Name: N-[1-benzyl-2-[1-[2-(cycloheptylamino)-1-hydroxy-2-keto-ethyl]pyrrolidin-1-ium-1-yl]-2-keto-ethyl]carbamic acid tert-butyl ester Formula: C27H42N3O5+ MolecularWeight: 488.63948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)[N+]2(CCCC2)C(C(=O)NC3CCCCCC3)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)[N+]2(CCCC2)C(C(=O)NC3CCCCCC3)O

InChI

InChI=1S/C27H41N3O5/c1-27(2,3)35-26(34)29-22(19-20-13-7-6-8-14-20)24(32)30(17-11-12-18-30)25(33)23(31)28-21-15-9-4-5-10-16-21/h6-8,13-14,21-22,25,33H,4-5,9-12,15-19H2,1-3H3,(H-,28,29,31,34)/p+1