Chemical Component Summary

Name[(1S,3R,4S)-3-amino-4-hydroxycyclopentyl]{(3R)-3-[(1S)-1-(biphenyl-2-yl)-1-hydroxy-5-methoxypentyl]piperidin-1-yl}methanone
Identifiers[(1S,3R,4S)-3-azanyl-4-hydroxy-cyclopentyl]-[(3R)-3-[(1S)-1-hydroxy-5-methoxy-1-(2-phenylphenyl)pentyl]piperidin-1-yl]methanone
FormulaC29 H40 N2 O4
Molecular Weight480.639
TypeNON-POLYMER
Isomeric SMILESCOCCCC[C@@](c1ccccc1c2ccccc2)([C@@H]3CCCN(C3)C(=O)[C@H]4C[C@H]([C@H](C4)O)N)O
InChIInChI=1S/C29H40N2O4/c1-35-17-8-7-15-29(34,25-14-6-5-13-24(25)21-10-3-2-4-11-21)23-12-9-16-31(20-23)28(33)22-18-26(30)27(32)19-22/h2-6,10-11,13-14,22-23,26-27,32,34H,7-9,12,15-20,30H2,1H3/t22-,23+,26+,27-,29-/m0/s1
InChIKeyGBAKDRIJFSDCNN-YJFNBJRFSA-N

Chemical Details

Formal Charge0
Atom Count75
Chiral Atom Count5
Bond Count78
Aromatic Bond Count13

Related Resource References

Resource NameReference
Pharos CHEMBL1818050
PubChem 53301844
ChEMBL CHEMBL1818050