tert-butyl (6S,9R,10S)-6-(methylcarbamoyl)-9-(2-methylpropyl)-10-(oxidanylcarbamoyl)-8-oxidanylidene-1,7-diazacyclotridecane-1-carboxylate

Systemtic Name: tert-butyl (6S,9R,10S)-6-(methylcarbamoyl)-9-(2-methylpropyl)-10-(oxidanylcarbamoyl)-8-oxidanylidene-1,7-diazacyclotridecane-1-carboxylate Openeye Name: tert-butyl (6S,9R,10S)-10-(hydroxycarbamoyl)-9-isobutyl-6-(methylcarbamoyl)-8-oxo-1,7-diazacyclotridecane-1-carboxylate CAS Name: (6S,9R,10S)-10-[(hydroxyamino)-oxomethyl]-6-(methylcarbamoyl)-9-(2-methylpropyl)-8-oxo-1,7-diazacyclotridecane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (6S,9R,10S)-10-(hydroxycarbamoyl)-6-(methylcarbamoyl)-9-(2-methylpropyl)-8-oxo-1,7-diazacyclotridecane-1-carboxylate Traditional Name: (6S,9R,10S)-10-(hydroxycarbamoyl)-9-isobutyl-8-keto-6-(methylcarbamoyl)-1,7-diazacyclotridecane-1-carboxylic acid tert-butyl ester Formula: C23H42N4O6 MolecularWeight: 470.60278

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1C(CCCN(CCCCC(NC1=O)C(=O)NC)C(=O)OC(C)(C)C)C(=O)NO

Isomeric SMILES

CC(C)C[C@@H]1[C@H](CCCN(CCCC[C@H](NC1=O)C(=O)NC)C(=O)OC(C)(C)C)C(=O)NO

InChI

InChI=1S/C23H42N4O6/c1-15(2)14-17-16(20(29)26-32)10-9-13-27(22(31)33-23(3,4)5)12-8-7-11-18(21(30)24-6)25-19(17)28/h15-18,32H,7-14H2,1-6H3,(H,24,30)(H,25,28)(H,26,29)/t16-,17+,18-/m0/s1