(2S)-1-((S)-2-((S)-1-FLUORO-2-(HYDROXYAMINO)-2-OXOETHYL)HEXANOYL)-N-(2-HYDROXYBUTYL)PYRROLIDINE-2-CARBOXAMIDE

/static/temp/default.svg Search structure
Molecule Category Free-form
Source Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Structure

InChI Key ZWAGHAOKLTZRCM-LHBNMAMBSA-N
Smiles CCCC[C@H]([C@H](F)C(=O)NO)C(=O)N1CCC[C@H]1C(=O)NCC(O)CC
InChI
InChI=1S/C17H30FN3O5/c1-3-5-7-12(14(18)16(24)20-26)17(25)21-9-6-8-13(21)15(23)19-10-11(22)4-2/h11-14,22,26H,3-10H2,1-2H3,(H,19,23)(H,20,24)/t11?,12-,13+,14+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H30FN3O5
Molecular Weight 375.44
AlogP 0.95
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 10.0
Polar Surface Area 118.97
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 26.0

Cross References

Resources Reference
ChEMBL CHEMBL2237195
PubChem 23520262
SureChEMBL SCHEMBL6863469
CONTENTS