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[D-Lys6]-LH-RH

CAT: 0931-T76348-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T76348-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
52671-12-2
Target
GNRH Receptor
Related Pathways
GPCR/G Protein
Bioactivity
[D-Lys6]-LH-RH, a Luteinizing-hormone-releasing hormone (LHRH) analogue, serves as a GnRH receptor agonist [1].
Smiles
CC(C)C[C@H](NC(=O)[C@@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O
Molecular Formula
C59H84N18O13
Molecular Weight
1253.41
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

LHRH, Lys(6)-
CAS Number52671-12-2
PubChem CID162695
IUPAC NameN-[1-[[1-[[(2S)-1-[[(2S)-1-[[(2R)-6-amino-1-[[(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]-1-oxohexan-2-yl]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 FormulaC59H84N18O13
Molecular Weight1253.4
XLogP-2.2
Topological Polar Surface Area501
Hydrogen Bond Donor Count17
Hydrogen Bond Acceptor Count16
Rotatable Bond Count35
Heavy Atom Count90
Formal Charge0
Complexity2500
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)[C@@H](CCCCN)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CO)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CC5=CN=CN5)NC(=O)C6CCC(=O)N6
InChI
InChI=1S/C59H84N18O13/c1-32(2)23-42(52(84)71-41(12-7-21-65-59(62)63)58(90)77-22-8-13-47(77)57(89)67-29-48(61)80)72-50(82)39(11-5-6-20-60)70-53(85)43(24-33-14-16-36(79)17-15-33)73-56(88)46(30-78)76-54(86)44(25-34-27-66-38-10-4-3-9-37(34)38)74-55(87)45(26-35-28-64-31-68-35)75-51(83)40-18-19-49(81)69-40/h3-4,9-10,14-17,27-28,31-32,39-47,66,78-79H,5-8,11-13,18-26,29-30,60H2,1-2H3,(H2,61,80)(H,64,68)(H,67,89)(H,69,81)(H,70,85)(H,71,84)(H,72,82)(H,73,88)(H,74,87)(H,75,83)(H,76,86)(H4,62,63,65)/t39-,40?,41+,42+,43+,44?,45?,46+,47+/m1/s1
InChIKey
HOWBSMILMYIFKQ-CTGKPQBXSA-N
Chemical Structure
2D Structure
2D structure of LHRH, Lys(6)-
CAS: 52671-12-2
CID: 162695
Formula: C59H84N18O13
MW: 1253.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1253.4
XLogP3-2.2
Hydrogen Bond Donor Count17
Hydrogen Bond Acceptor Count16
Rotatable Bond Count35
Exact Mass1252.64652481
Monoisotopic Mass1252.64652481
Topological Polar Surface Area501 Ų
Heavy Atom Count90
Formal Charge0
Complexity2500
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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