Ulimorelin
(3R,6S,9R,12R)-6-cyclopropyl-12-[(4-fluorophenyl)methyl]-3,8,9-trimethyl-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione
Molecular Identity
Ulimorelin
(3R,6S,9R,12R)-6-cyclopropyl-12-[(4-fluorophenyl)methyl]-3,8,9-trimethyl-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione
PubChem CID: 11526696
Ulimorelin is an oligopeptide.
2D Structure
Properties
C30H39FN4O4
Molecular Formula
538.70
Molecular Weight
g/mol
538.2955
Exact Mass
Da
3.8
XLogP
Drug-like (Lipinski: < 5)
99.8
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
6
H-Bond Acceptors
832
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Ulimorelin842131-33-3TZP 101UlimorelinaUlimorelineLGI67MCW2STZP-101 FREE BASEDTXSID00233139(3R,6S,9R,12R)-6-cyclopropyl-12-[(4-fluorophenyl)methyl]-3,8,9-trimethyl-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trioneulimorelinum(3R,6S,9R,12R)-6-cyclopropyl-12-((4-fluorophenyl)methyl)-3,8,9-trimethyl-2-oxa-5,8,11,14-tetrazabicyclo(16.4.0)docosa-1(22),18,20-triene-7,10,13-trioneRefChem:919576DTXCID50155630(2R,5S,8R,11R)-5-cyclopropyl-11-((4-fluorophenyl)methyl)-2,7,8-trimethyl-3,4,5,6,7,8,9,10,11,12,13,14,15,16-tetradecahydro-2H-1,4,7,10,13-benzoxatetrazacyclooctadecine-6,9,12-trioneD-Phenylalanine, (2S)-N-((2R)-2-(2-(3-aminopropyl)phenoxy)propyl)-2-cyclopropylglycyl-N-methyl-D-alanyl-4-fluoro-, (3->1)-lactam
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Ulimorelin
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