(3S)-N-cyclohexyl-2-[10-(oxidanylcarbamoyl)-13-phenyl-tridecanoyl]-1,2-diazinane-3-carboxamide

Systemtic Name: (3S)-N-cyclohexyl-2-[10-(oxidanylcarbamoyl)-13-phenyl-tridecanoyl]-1,2-diazinane-3-carboxamide Openeye Name: (3S)-N-cyclohexyl-2-[10-(hydroxycarbamoyl)-13-phenyl-tridecanoyl]hexahydropyridazine-3-carboxamide CAS Name: (3S)-N-cyclohexyl-2-[10-[(hydroxyamino)-oxomethyl]-1-oxo-13-phenyltridecyl]-3-diazinanecarboxamide IUPAC Name: (3S)-N-cyclohexyl-2-[10-(hydroxycarbamoyl)-13-phenyltridecanoyl]diazinane-3-carboxamide Traditional Name: (3S)-N-cyclohexyl-2-[10-(hydroxycarbamoyl)-13-phenyl-tridecanoyl]hexahydropyridazine-3-carboxamide Formula: C31H50N4O4 MolecularWeight: 542.7531

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C2CCCNN2C(=O)CCCCCCCCC(CCCC3=CC=CC=C3)C(=O)NO

Isomeric SMILES

C1CCC(CC1)NC(=O)[C@@H]2CCCNN2C(=O)CCCCCCCCC(CCCC3=CC=CC=C3)C(=O)NO

InChI

InChI=1S/C31H50N4O4/c36-29(35-28(22-14-24-32-35)31(38)33-27-20-10-6-11-21-27)23-12-4-2-1-3-9-18-26(30(37)34-39)19-13-17-25-15-7-5-8-16-25/h5,7-8,15-16,26-28,32,39H,1-4,6,9-14,17-24H2,(H,33,38)(H,34,37)/t26?,28-/m0/s1