(2S)-3-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-N-[(2S)-1-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1-oxidanylidene-3-phenyl-propan-2-yl]-2-(2-methylpropyl)-N'-oxidanyl-butanediamide

Systemtic Name: (2S)-3-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-N-[(2S)-1-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1-oxidanylidene-3-phenyl-propan-2-yl]-2-(2-methylpropyl)-N'-oxidanyl-butanediamide Openeye Name: (2S)-N-[(1S)-1-benzyl-2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-oxo-ethyl]-2-[1-[(1,3-dioxoisoindolin-2-yl)methyl]-2-(hydroxyamino)-2-oxo-ethyl]-4-methyl-pentanamide CAS Name: (3S)-2-[(1,3-dioxo-2-isoindolyl)methyl]-N-hydroxy-N'-[(2S)-1-[4-[2-(4-methyl-1-piperazinyl)ethoxy]phenyl]-1-oxo-3-phenylpropan-2-yl]-3-(2-methylpropyl)butanediamide IUPAC Name: (3S)-2-[(1,3-dioxoisoindol-2-yl)methyl]-N-hydroxy-N'-[(2S)-1-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1-oxo-3-phenylpropan-2-yl]-3-(2-methylpropyl)butanediamide Traditional Name: (2S)-N-[(1S)-1-benzyl-2-keto-2-[4-[2-(4-methylpiperazino)ethoxy]phenyl]ethyl]-2-[2-(hydroxyamino)-2-keto-1-(phthalimidomethyl)ethyl]-4-methyl-valeramide Formula: C39H47N5O7 MolecularWeight: 697.81978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(CN1C(=O)C2=CC=CC=C2C1=O)C(=O)NO)C(=O)NC(CC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)OCCN5CCN(CC5)C

Isomeric SMILES

CC(C)C[C@@H](C(CN1C(=O)C2=CC=CC=C2C1=O)C(=O)NO)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)OCCN5CCN(CC5)C

InChI

InChI=1S/C39H47N5O7/c1-26(2)23-32(33(37(47)41-50)25-44-38(48)30-11-7-8-12-31(30)39(44)49)36(46)40-34(24-27-9-5-4-6-10-27)35(45)28-13-15-29(16-14-28)51-22-21-43-19-17-42(3)18-20-43/h4-16,26,32-34,50H,17-25H2,1-3H3,(H,40,46)(H,41,47)/t32-,33?,34-/m0/s1