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Gonadotropin-releasing hormone

Athanor · official

C55H75N17O13 · 1182.3 g/mol

IUPAC name: (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[(2S)-2-[(2-amino-2-oxoethyl)carbamoyl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide

Also called GnRH, LHRH, luteinizing hormone-releasing hormone, gonadorelin, 10-residue peptide

Hormones
Open in Athanor
The structure of Gonadotropin-releasing hormone
Drawn from its SMILES with RDKit
Health hazardDangerMay damage fertility or the unborn child

Names and identifiers

IUPAC name
(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[(2S)-2-[(2-amino-2-oxoethyl)carbamoyl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide
Synonyms
GnRH, LHRH, luteinizing hormone-releasing hormone
+ 41 more

gonadorelin, 10-residue peptide, GONADORELIN, Gonadorelina, GnRH-I, Gonadorelinum, Fertagyl, LH-Releasing factor, Luforan, Lutrefact, Gonadoliberin I, Gonadotropin-releasing factor, Gonadoreline, p-Glu-His-Trp-Ser-Tyr-Gly-Leu-Arg-Pro-Gly-NH2, Gonadorelin decapeptide, CHEBI:5520, 5-oxo-L-prolyl-L-histidyl-L-tryptophyl-L-seryl-L-tyrosylglycyl-L-leucyl-L-arginyl-L-prolylglycinamide, DTXSID20873490, 9O7312W37G, pGlu-His-Trp-Ser-Tyr-Gly-Leu-Arg-Pro-Gly-NH2, Fertiral lh-rh, Relefact lh-rh, Fertelin, OvaCyst, RefChem:1086162, H01CA01, V04CM01, DTXCID001011737, 251-553-1, Hypocrine, Luteostimulin, Relefact, 5-oxo-PHWSYGLRPGNH2, Gonadorelin for NMR identification CRS, Dirigestran, Glycinamide, 5-oxo-L-prolyl-L-histidyl-L-tryptophyl-L-seryl-L-tyrosylglycyl-L-leucyl-L-arginyl-L-prolyl-, Nialutin, Lutal, Relisorm l, C55H75N17O13, Mammalian GnRH, Synthetic LRF

Molecular formula
C55H75N17O13
Empirical formula
C55H75N17O13
Molecular weight
1182.3 g/mol
Exact mass
1181.57303
CAS number
33515-09-2
PubChem CID
638793
Canonical SMILES
CC(C)CC(C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NCC(=O)N)NC(=O)CNC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CO)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CC5=CN=CN5)NC(=O)C6CCC(=O)N6
Isomeric SMILES
CC(C)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N)NC(=O)CNC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CC5=CN=CN5)NC(=O)[C@@H]6CCC(=O)N6
InChI
InChI=1S/C55H75N17O13/c1-29(2)19-38(49(80)67-37(9-5-17-60-55(57)58)54(85)72-18-6-10-43(72)53(84)62-25-44(56)75)66-46(77)26-63-47(78)39(20-30-11-13-33(74)14-12-30)68-52(83)42(27-73)71-50(81)40(21-31-23-61-35-8-4-3-7-34(31)35)69-51(82)41(22-32-24-59-28-64-32)70-48(79)36-15-16-45(76)65-36/h3-4,7-8,11-14,23-24,28-29,36-43,61,73-74H,5-6,9-10,15-22,25-27H2,1-2H3,(H2,56,75)(H,59,64)(H,62,84)(H,63,78)(H,65,76)(H,66,77)(H,67,80)(H,68,83)(H,69,82)(H,70,79)(H,71,81)(H4,57,58,60)/t36-,37-,38-,39-,40-,41-,42-,43-/m0/s1
InChIKey
XLXSAKCOAKORKW-AQJXLSMYSA-N
Molfile

Names, InChI and the identifiers from PubChem, retrieved 2026-10-14.

Calculated

Heavy atoms
85
Rings
6
Aromatic rings
4
Fraction sp³ carbons (Fsp3)
0.47
H-bond donors
17 computed here · PubChem 16
H-bond acceptors
15
Rotatable bonds
31
TPSA (Ų)
472.1 computed here · PubChem 475
Formal charge
0
XLogP3
-2.4 PubChem
Complexity
2390 PubChem
Stereocenters
8 definedCIP: C5: S · C10: S · C20: S · C34: S · C40: S · C56: S · C64: S · C78: S
Double-bond geometry
None specified
Point group
C1 of one 3D conformer with its hydrogens, by Athanor’s engine (as in the app)

Elemental analysis

  • C55.87%
  • H6.39%
  • N20.14%
  • O17.59%

Isotope pattern

100%1181.57367%1182.57625%1183.5796.6%1184.5811.4%1185.5841186.586

Each peak is a nominal mass with its abundance-weighted exact mass, as a percentage of the tallest, from IUPAC natural isotope abundances.

Computed from the structure with RDKit 2026.09 when this page was built, beside PubChem's own computed values from its record; where the two differ, both are shown.

Predicted

log P
-4.18 Crippen (Wildman and Crippen 1999)
log S (water solubility)
-2.67 ESOL (Delaney 2004), log mol/L
Synthetic accessibility
5.78 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)

Drug-likeness: Lipinski’s rule of five

  • Molecular weight ≤ 500: 1182.31
  • log P ≤ 5 (Crippen): -4.18
  • H-bond donors ≤ 5: 17
  • H-bond acceptors ≤ 10: 15

Breaks 3 of the four rules.

¹³C NMR shifts, predicted

Predictions, not measurements; each names its method. A measured log P, where a source reports one, is under Physical properties.

Safety

Danger

Most widely reported: 2 company reports to ECHA. Source [1].

  • Health hazard
  • H360May damage fertility or the unborn child

Precautionary statements: P203, P280, P318, P405, P501

Safety data sheets on the supplier’s page: Ambinter, Alfa Chemistry, AvaChem Scientific.

Always read the supplier’s safety data sheet before working with it.

Literature

Reading PubChem, OpenAlex and GSRS…

Bioactivity

Reading ChEMBL…

References

  1. [1]European Chemicals Agency (ECHA) · ECHA legal notice: reuse with acknowledgement · via PubChem · retrieved 2026-10-14
  2. ·Calculated values: computed by Athanor with RDKit 2026.09 from the structure.
  3. ·Literature on PubChem

Data last updated 2026-10-14.