[35S]ibutamoren   

GtoPdb Ligand ID: 1097

Synonyms: [35S]MK-0677
   
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 130.42
Molecular weight 528.24
XLogP 1.91
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES O=C(C(NC(=O)C(N)(C)C)COCc1ccccc1)N1CCC2(CC1)CN(c1c2cccc1)S(=O)(=O)C
Isomeric SMILES O=C([C@H](NC(=O)C(N)(C)C)COCc1ccccc1)N1CCC2(CC1)CN(c1c2cccc1)[35S](=O)(=O)C
InChI InChI=1S/C27H36N4O5S/c1-26(2,28)25(33)29-22(18-36-17-20-9-5-4-6-10-20)24(32)30-15-13-27(14-16-30)19-31(37(3,34)35)23-12-8-7-11-21(23)27/h4-12,22H,13-19,28H2,1-3H3,(H,29,33)/t22-/m1/s1/i37+3
InChI Key UMUPQWIGCOZEOY-KRTHATKOSA-N
Classification
Compound class Synthetic organic
IUPAC Name
2-amino-2-methyl-N-[(2R)-1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-1-oxo-3-(phenylmethoxy)propan-2-yl]propanamide
Synonyms
[35S]MK-0677
Database Links
GtoPdb PubChem SID 135651124
PubChem CID 10578170
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