Compound: actinonin
SMILES: O=C(N1[C@@H](CCC1)CO)[C@@H](NC(=O)[C@@H](CC(=O)NO)CCCCC)C(C)C
InChIKey: XJLATMLVMSFZBN-VYDXJSESSA-N
Synonyms: actinonin, 13434-13-4, P18SPA8N0K, DTXSID70928580, (2R)-N'-hydroxy-N-[(2S)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-pentylbutanediamide, (2R)-2-[2-(hydroxyamino)-2-oxo-ethyl]-N-[(1S)-1-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-methyl-propyl]heptanamide, (2R)-2-(2-(hydroxyamino)-2-oxo-ethyl)-N-((1S)-1-((2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl)-2-methyl-propyl)heptanamide, (2R)-N'-hydroxy-N-((2S)-1-((2S)-2-(hydroxymethyl)pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl)-2-pentylbutanediamide, RefChem:449921, DTXCID401357345, N'-hydroxy-N-(1-(2-(hydroxymethyl)pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl)-2-pentylbutanediamide, Actinonine, (R)-N4-hydroxy-N1-((S)-1-((S)-2-(hydroxymethyl)pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl)-2-pentylsuccinamide, CHEMBL308333, C19H35N3O5, Octanohydroxamic acid, 3-((1-((2-(hydroxymethyl)-1-pyrrolidinyl)carbonyl)-2-methylpropyl)carbamoyl)-, BB2, SR-01000075681, UNII-P18SPA8N0K, MFCD00080257, XJLATMLVMSFZBN-VYDXJSESSA-N, 3g5k, 3m6p, 3m6q, 3m6r, 3pn4, 4dr9, 4je7, Spectrum2_000628, Spectrum3_000680, Spectrum4_001932, Spectrum5_000728, Lopac0_000010, BSPBio_002379, KBioGR_002305, DivK1c_001024, SCHEMBL279450, SPBio_000596, orb3132249, HMS503M09, KBio1_001024, KBio3_001599, NINDS_001024, HMS3260A21, N*4*-Hydroxy-N*1*-[1-(2-hydroxymethyl-pyrrolidine-1-carbonyl)-2-methyl-propyl]-2-pentyl-succinamide, Tox21_500010, BDBM50089194, CCG-38543, EX-A11832, HB3737, AKOS015894413, DB04310, LP00010, SDCCGSBI-0049999.P004, IDI1_001024, NCGC00093535-01, NCGC00093535-02, NCGC00093535-03, NCGC00093535-04, NCGC00093535-07, NCGC00260695-01, 2-[(FORMYL-HYDROXY-AMINO)-METHYL]-HEPTANOIC ACID [1-(2-HYDROXYMETHYL-PYRROLIDINE-1-CARBONYL)-2-METHYL-PROPYL]-AMIDE, Butanediamide, N4-hydroxy-N1-(1-((2-(hydroxymethyl)-1-pyrrolidinyl)carbonyl)-2-methylpropyl)-2-pentyl-, stereoisomer, DA-60794, HY-113952, CS-0064758, EU-0100010, NS00011711, A 6671, F82262, Q4676979, SR-01000075681-1, SR-01000075681-5, Actinonin in combination with isoniazid and rifampicin, BRD-K24621118-001-02-5, BRD-K24621118-001-03-3, (2R)-N~4~-hydroxy-N~1~-[(1S)-1-{[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]carbonyl}-2-methylpropyl]-2-pentylbutanediamide, (2R)-N~4~-Hydroxy-N~1~-{(2S)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl}-2-pentylbutanediamide, (2R)-N4-HYDROXY-N1-((2S)-1-((2S)-2-(HYDROXYMETHYL)PYRROLIDIN-1-YL)-3-METHYL-1-OXOBUTAN-2-YL)-2-PENTYLBUTANEDIAMIDE, (R)-N*4*-Hydroxy-N*1*-[(S)-1-((S)-2-hydroxymethyl-pyrrolidine-1-carbonyl)-2-methyl-propyl]-2-pentyl-succinamide, N*4*-Hydroxy-N*1*-[(S)-1-((S)-2-hydroxymethyl-pyrrolidine-1-carbonyl)-2-methyl-propyl]-2-(R)-pentyl-succinamide
Theoretical properties:
molecular_formula: C19H35N3O5
molecular_weight: 385.5 g/mol
exact_mass: 385.25767123 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 4
hydrogen_bond_acceptor_count: 5
rotatable_bond_count: 11
heavy_atom_count: 27
topological_polar_surface_area: 119 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
chembl: ACTINONIN is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Actinonin is a naturally occurring antibacterial agent that has demonstrated anti-tumor activity.
Actiononin has been shown to inhibit the enzyme peptide deformylase, which is essential in bacteria.