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: AK242039
Synonym: None
IUPAC Name: (2S)-2-[(R)-[(1S,3aR,5R,7aR)-1-[(2-aminopyridin-4-yl)methyl]-3a-hydroxy-1,2,3,4,5,7a-hexahydroinden-5-yl]-hydroxymethyl]-7-[(1R,4S,6R)-6-hydroxy-4-pentylcyclohex-2-en-1-yl]heptanoic acid
Structure
SMILES: CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)O)[C@H](O)[C@H]2C=C[C@H]3[C@H](CC4=CC=NC(N)=C4)CC[C@@]3(O)C2)[C@H](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)/t23-,25-,26+,27+,28+,29+,30-,32-,34-/m1/s1
InChIKey: UTZBTFPWHTXQPR-OWSXAVIOSA-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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