2-({1-[(2-aminopyridin-4-yl)methyl]-3a-hydroxy-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl}(hydroxy)methyl)-7-(6-hydroxy-4-pentylcyclohex-2-en-1-yl)heptanoic acid
AlkaPlorer ID: AK541241
Synonym: None
IUPAC Name: 2-[[1-[(2-aminopyridin-4-yl)methyl]-3a-hydroxy-1,2,3,4,5,7a-hexahydroinden-5-yl]-hydroxymethyl]-7-(6-hydroxy-4-pentylcyclohex-2-en-1-yl)heptanoic acid
Structure
SMILES: CCCCCC1C=CC(CCCCCC(C(=O)O)C(O)C2C=CC3C(CC4=CC=NC(N)=C4)CCC3(O)C2)C(O)C1
InChI: InChI=1S/C34H52N2O5/c1-2-3-5-8-23-11-12-25(30(37)20-23)9-6-4-7-10-28(33(39)40)32(38)27-13-14-29-26(15-17-34(29,41)22-27)19-24-16-18-36-31(35)21-24/h11-14,16,18,21,23,25-30,32,37-38,41H,2-10,15,17,19-20,22H2,1H3,(H2,35,36)(H,39,40)
InChIKey: UTZBTFPWHTXQPR-UHFFFAOYSA-N
Source
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Properties Information
Molecule Weight: 568.7990000000001
TPSA？: 136.9
MolLogP？: 5.685400000000006
Number of H-Donors: 5
Number of H-Acceptors: 6
RingCount: 4
Activities Information
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