L-368,899   

GtoPdb Ligand ID: 2249

Synonyms: L 368,899  | L 368899 | L-368899
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 10
Topological polar surface area 146.64
Molecular weight 554.26
XLogP 3.23
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES O=C(C(CCS(=O)(=O)C)N)NC1CC2C(C1(CC2)CS(=O)(=O)N1CCN(CC1)c1ccccc1C)(C)C
Isomeric SMILES O=C([C@H](CCS(=O)(=O)C)N)N[C@H]1C[C@@H]2C([C@]1(CC2)CS(=O)(=O)N1CCN(CC1)c1ccccc1C)(C)C
InChI InChI=1S/C26H42N4O5S2/c1-19-7-5-6-8-22(19)29-12-14-30(15-13-29)37(34,35)18-26-11-9-20(25(26,2)3)17-23(26)28-24(31)21(27)10-16-36(4,32)33/h5-8,20-21,23H,9-18,27H2,1-4H3,(H,28,31)/t20-,21+,23+,26-/m1/s1
InChI Key MWIASLNTAGRGGA-ZJPWWDJASA-N
Classification
Compound class Synthetic organic
IUPAC Name
(2S)-2-amino-N-[(1S,4R,6S)-7,7-dimethyl-1-[[4-(2-methylphenyl)piperazin-1-yl]sulfonylmethyl]-6-bicyclo[2.2.1]heptanyl]-4-methylsulfonylbutanamide
Synonyms
L 368,899  | L 368899 | L-368899
Database Links
CAS Registry No. 148927-60-0
ChEMBL Ligand CHEMBL1253853
GtoPdb PubChem SID 135650472
PubChem CID 9872389
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Wikipedia L-368,899