Compound: TRIPTORELIN
SMILES: O=C1N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2[C@H](C(=O)NCC(=O)N)CCC2)CCCNC(=N)N)CC(C)C)Cc3c4c(cccc4)[nH]c3)Cc5ccc(O)cc5)CO)Cc6c7c(cccc7)[nH]c6)Cc8[nH]cnc8)CC1
InChIKey: VXKHXGOKWPXYNA-PGBVPBMZSA-N
Synonyms: TRIPTORELIN, 57773-63-4, Triptoreline, Triptorelina, Arvekap, Triptorelinum, Triptodur, (D-Trp6)-GnRH, tryptorelin, Decapeptyl SR, CL-118532, AY-25650, pGlu-His-Trp-Ser-Tyr-D-Trp-Leu-Arg-Pro-Gly-NH2, CL 118532, CL 118,532, Wy-42462, 5-Oxo-L-prolyl-L-histidyl-L-tryptophyl-L-seryl-L-tyrosyl-D-tryptophyl-L-leucyl-L-arginyl-L-prolylglycinamide, DTXSID2048375, CHEBI:63633, 9081Y98W2V, 6-D-tryptophan-LH-RH, Detryptoreline, Gonapeptyl depot, RefChem:57246, D-Trp-6-LH-RH, LHRH, Tryptophyl(6)-, GnRH, Trp(6)-, LHRH, Trp(6)-, L02AE04, DTXCID501508670, Wy42462, AY25650, CL118532, CL-118,532, 6-D-Tryptophanluteinizing Hormone-releasing Factor, [D-Trp6]-LH-RH, MFCD00167541, Trelstar depot, Trelstar LA, (D-Trp6)-LH-RH, Diferelin, D-Tryptophan-LH-RH, Triptoreline [INN-French], Triptorelinum [INN-Latin], Triptorelina [INN-Spanish], Trellasar, Moapar, Triptorelin [USAN:INN:BAN], Pamorelin LA, UNII-9081Y98W2V, Triptorelin (swine), BIM 21003, C64H82N18O13, Wy 42422, Wy 42462, D-Trp6-LHRH, AY 25650, Debio-8206, Triptorelin (USAN/INN), orb611871, GTPL1177, orb2893608, SCHEMBL5079698, CHEMBL1201334, SCHEMBL22289009, SCHEMBL29425256, SCHEMBL30022783, VXKHXGOKWPXYNA-PGBVPBMZSA-N, HMS2090C17, EX-A3857, MSK11087, BIM-21003, EBC-27549, AKOS030213249, CS-5745, DB06825, NCGC00167301-01, NCGC00167301-02, AS-71149, BN-52014, DA-48936, HY-12551, C75704, D06247, [D-Trp6]-LH-RH, >=97% (HPLC), powder, AB01275488-01, EN300-18527985, pGlu-His-Trp-Ser-Tyr-D-Trp-Leu-Arg-Pro-GlyNH2, Q1992452, BRD-K62685538-001-01-7, (S)-1-((3S,6S,9S,12S,15R,18S,21S)-3-((1H-imidazol-5-yl)methyl)-6,15-bis((1H-indol-3-yl)methyl)-21-(3-guanidinopropyl)-12-(4-hydroxybenzyl)-9-(hydroxymethyl)-18-isobutyl-1,4,7,10,13,16,19-heptaoxo-1-((S)-5-oxopyrrolidin-2-yl)-2,5,8,11,14,17,20-heptaazadoco, (S)-1-((3S,6S,9S,12S,15R,18S,21S)-3-((1H-imidazol-5-yl)methyl)-6,15-bis((1H-indol-3-yl)methyl)-21-(3-guanidinopropyl)-12-(4-hydroxybenzyl)-9-(hydroxymethyl)-18-isobutyl-1,4,7,10,13,16,19-heptaoxo-1-((S)-5-oxopyrrolidin-2-yl)-2,5,8,11,14,17,20-heptaazadocosan-22-oyl)-N-(2-amino-2-oxoethyl)pyrrolidine-2-carboxamide, Glycinamide, 5-oxo-L-prolyl-L-histidyl-L-tryptophyl-L-seryl-L-tyrosyl-D-tryptophyl-L-leucyl-L-arginyl-L-prolyl-
Theoretical properties:
molecular_formula: C64H82N18O13
molecular_weight: 1311.4 g/mol
exact_mass: 1310.63087474 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 17
hydrogen_bond_acceptor_count: 15
rotatable_bond_count: 33
heavy_atom_count: 95
topological_polar_surface_area: 490 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Triptorelin is an oligopeptide comprising pyroglutamyl, histidyl, tryptophyl, seryl, tyrosyl, D-tryptophyl, leucyl, arginyl, prolyl and glycinamide residues joined in sequence. It is an agonist analogue of gonadotropin-releasing hormone. It has a role as an antineoplastic agent, a contraceptive drug and a gonadotropin releasing hormone agonist.
chebi: An oligopeptide comprising pyroglutamyl, histidyl, tryptophyl, seryl, tyrosyl, <small>D</small>-tryptophyl, leucyl, arginyl, prolyl and glycinamide residues joined in sequence. It is an agonist analogue of gonadotropin-releasing hormone.
chembl: TRIPTORELIN is a protein listed in the ChEMBL database and has reached clinical trial phase 4.0.
wikipedia: Triptorelin, sold under the brand name Decapeptyl among others, is a medication that acts as an agonist analog of gonadotropin-releasing hormone, repressing expression of luteinizing hormone (LH) and follicle-stimulating hormone (FSH). It was patented in 1975 and approved for medical use in 1986. Triptorelin is a therapeutic alternative on the World Health Organization's List of Essential Medicines.
It is a decapeptide (pGlu-His-Trp-Ser-Tyr-D-Trp-Leu-Arg-Pro-Gly-NH2) and a gonadotropin-releasing hormone agonist (GnRH agonist) used as the acetate or pamoate salts.
Primary indications include endometriosis, for the reduction of uterine fibroids, to treat prostate cancer, to treat male hypersexuality with severe sexual deviation, and to delay puberty in cases of precocious puberty or gender dysphoria.