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[D-Phe2,6, Pro3]-LH-RH

CAT: 0931-T83499-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T83499-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
64789-67-9
Target
GNRH Receptor
Related Pathways
GPCR/G Protein
Bioactivity
[D-Phe2,6, Pro3]-LH-RH is a potent antagonist of luteinizing hormone-releasing hormone (LHRH) .
Smiles
C([C@@H](CC1=CC=CC=C1)NC(=O)[C@@H]2CCC(=O)N2)(=O)N3[C@H](C(N[C@H](C(N[C@@H](CC4=CC=C(O)C=C4)C(N[C@H](CC5=CC=CC=C5)C(N[C@H](C(N[C@H](C(=O)N6[C@H](C(NCC(N)=O)=O)CCC6)CCCNC(=N)N)=O)CC(C)C)=O)=O)=O)CO)=O)CCC3
Molecular Formula
C59H80N14O13
Molecular Weight
1193.35
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

LHRH, phe(2)-pro(3)-phe(6)-

gonadorelin antagonist; RN given refers to (D-Phe-L-Pro-D-Phe)-isomer

CAS Number64789-67-9
PubChem CID197203
IUPAC Name(2S)-N-[(2R)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(2R)-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-oxo-3-phenylpropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-5-oxopyrrolidine-2-carboxamide
Molecular FormulaC59H80N14O13
Molecular Weight1193.4
XLogP0
Topological Polar Surface Area421
Hydrogen Bond Donor Count13
Hydrogen Bond Acceptor Count14
Rotatable Bond Count30
Heavy Atom Count86
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)[C@@H](CC2=CC=CC=C2)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@H](CO)NC(=O)[C@@H]4CCCN4C(=O)[C@@H](CC5=CC=CC=C5)NC(=O)[C@@H]6CCC(=O)N6
InChI
InChI=1S/C59H80N14O13/c1-34(2)28-41(51(79)66-40(16-9-25-63-59(61)62)57(85)72-26-10-17-46(72)55(83)64-32-48(60)76)67-52(80)42(29-35-12-5-3-6-13-35)68-53(81)43(30-37-19-21-38(75)22-20-37)69-54(82)45(33-74)71-56(84)47-18-11-27-73(47)58(86)44(31-36-14-7-4-8-15-36)70-50(78)39-23-24-49(77)65-39/h3-8,12-15,19-22,34,39-47,74-75H,9-11,16-18,23-33H2,1-2H3,(H2,60,76)(H,64,83)(H,65,77)(H,66,79)(H,67,80)(H,68,81)(H,69,82)(H,70,78)(H,71,84)(H4,61,62,63)/t39-,40-,41-,42+,43-,44+,45-,46-,47-/m0/s1
InChIKey
WYGRGFSYVORMAZ-NIOTWYNPSA-N
Chemical Structure
2D Structure
2D structure of LHRH, phe(2)-pro(3)-phe(6)-
CAS: 64789-67-9
CID: 197203
Formula: C59H80N14O13
MW: 1193.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1193.4
XLogP30
Hydrogen Bond Donor Count13
Hydrogen Bond Acceptor Count14
Rotatable Bond Count30
Exact Mass1192.60292866
Monoisotopic Mass1192.60292866
Topological Polar Surface Area421 Ų
Heavy Atom Count86
Formal Charge0
Complexity2390
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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