tert-butyl 4-[[2-[(2-azanyl-5-chloranyl-phenyl)carbonylamino]ethanoylamino]methyl]-2-iodanyl-piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[2-[(2-azanyl-5-chloranyl-phenyl)carbonylamino]ethanoylamino]methyl]-2-iodanyl-piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[[2-[(2-amino-5-chloro-benzoyl)amino]acetyl]amino]methyl]-2-iodo-piperidine-1-carboxylate CAS Name: 4-[[[2-[[(2-amino-5-chlorophenyl)-oxomethyl]amino]-1-oxoethyl]amino]methyl]-2-iodo-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[[2-[(2-amino-5-chlorobenzoyl)amino]acetyl]amino]methyl]-2-iodopiperidine-1-carboxylate Traditional Name: 4-[[[2-[(2-amino-5-chloro-benzoyl)amino]acetyl]amino]methyl]-2-iodo-piperidine-1-carboxylic acid tert-butyl ester Formula: C20H28ClIN4O4 MolecularWeight: 550.81819

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1I)CNC(=O)CNC(=O)C2=C(C=CC(=C2)Cl)N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1I)CNC(=O)CNC(=O)C2=C(C=CC(=C2)Cl)N

InChI

InChI=1S/C20H28ClIN4O4/c1-20(2,3)30-19(29)26-7-6-12(8-16(26)22)10-24-17(27)11-25-18(28)14-9-13(21)4-5-15(14)23/h4-5,9,12,16H,6-8,10-11,23H2,1-3H3,(H,24,27)(H,25,28)