tert-butyl N-[1-[1-[2-(cyclohexylamino)-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-(cyclohexylamino)-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-(cyclohexylamino)-1-hydroxy-2-oxo-ethyl]pyrrolidin-1-ium-1-yl]-2-oxo-ethyl]carbamate CAS Name: N-[1-[1-[2-(cyclohexylamino)-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-(cyclohexylamino)-1-hydroxy-2-oxoethyl]pyrrolidin-1-ium-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamate Traditional Name: N-[1-benzyl-2-[1-[2-(cyclohexylamino)-1-hydroxy-2-keto-ethyl]pyrrolidin-1-ium-1-yl]-2-keto-ethyl]carbamic acid tert-butyl ester Formula: C26H40N3O5+ MolecularWeight: 474.6129

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)[N+]2(CCCC2)C(C(=O)NC3CCCCC3)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)[N+]2(CCCC2)C(C(=O)NC3CCCCC3)O

InChI

InChI=1S/C26H39N3O5/c1-26(2,3)34-25(33)28-21(18-19-12-6-4-7-13-19)23(31)29(16-10-11-17-29)24(32)22(30)27-20-14-8-5-9-15-20/h4,6-7,12-13,20-21,24,32H,5,8-11,14-18H2,1-3H3,(H-,27,28,30,33)/p+1