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LHRH Acetate Salt

CAT: 0013-GTR19153440-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19153440-01Size:25 mg
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Description
LHRH Acetate Salt (also known as Gonadorelin, Gonadorelin acetate salt, Luliberin, GnRH, LH-RH, human; CAS number: 33515-09-2) is a compound with a molecular weight of 1182.31 Da and a purity of ≥95%.
CAS Number
33515-09-2
Product Name Alternative
Gonadorelin, Gonadorelin acetate salt, Luliberin, GnRH, LH-RH, human
Purity
≥95%
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
Molecular Weight
1182.31
Storage Conditions
Storage Temp: -20°C
Notes
For research use only.
Other Product Names
PEHWSYGLRPG-NH2

Chemical Information

Gonadorelin

Gonadorelin is a ten-membered synthetic oligopeptide comprising pyroglutamyl, histidyl, tryptophyl, seryl, tyrosyl, glycyl, leucyl, arginyl, prolyl and glycinamide residues joined in sequence. It has a role as a gonadotropin releasing hormone agonist. It is an oligopeptide and a peptide hormone.

CAS Number33515-09-2
PubChem CID638793
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
Molecular FormulaC55H75N17O13
Molecular Weight1182.3
XLogP-2.4
Topological Polar Surface Area475
Hydrogen Bond Donor Count16
Hydrogen Bond Acceptor Count15
Rotatable Bond Count31
Heavy Atom Count85
Formal Charge0
Complexity2390
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
Chemical Structure
2D Structure
2D structure of Gonadorelin
CAS: 33515-09-2
CID: 638793
Formula: C55H75N17O13
MW: 1182.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight1182.3
XLogP3-2.4
Hydrogen Bond Donor Count16
Hydrogen Bond Acceptor Count15
Rotatable Bond Count31
Exact Mass1181.57302551
Monoisotopic Mass1181.57302551
Topological Polar Surface Area475 Ų
Heavy Atom Count85
Formal Charge0
Complexity2390
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes