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LHRH (free acid)

CAT: 0121-4009735.0005Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0121-4009735.0005Size:5 mg
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CAS Number
35263-73-1
Specifications
H-4010.0005
Synonyms
GnRH (free acid) Gonadorelin (free acid) LH-RH, Free Acid
Sequence
Pyr-His-Trp-Ser-Tyr-Gly-Leu-Arg-Pro-Gly-OH
Molecular Formula
C₅₅H₇₄N₁₆O₁₄
Molecular Weight
1183.29
Shipping Conditions
Ambient Temperature
Storage Temperature
< -15°C

Chemical Information

LHRH, Gly(10)-

LHRH with Gly instead of GlyNH2 in position 10; gonadorelin antagonist

CAS Number35263-73-1
PubChem CID3081473
IUPAC Name2-[[(2S)-1-[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-3-hydroxy-2-[[(2S)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]pentanoyl]pyrrolidine-2-carbonyl]amino]acetic acid
Molecular FormulaC55H74N16O14
Molecular Weight1183.3
XLogP-1.8
Topological Polar Surface Area469
Hydrogen Bond Donor Count16
Hydrogen Bond Acceptor Count16
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)O)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/C55H74N16O14/c1-29(2)19-38(49(80)66-37(9-5-17-59-55(56)57)54(85)71-18-6-10-43(71)53(84)62-26-46(76)77)65-45(75)25-61-47(78)39(20-30-11-13-33(73)14-12-30)67-52(83)42(27-72)70-50(81)40(21-31-23-60-35-8-4-3-7-34(31)35)68-51(82)41(22-32-24-58-28-63-32)69-48(79)36-15-16-44(74)64-36/h3-4,7-8,11-14,23-24,28-29,36-43,60,72-73H,5-6,9-10,15-22,25-27H2,1-2H3,(H,58,63)(H,61,78)(H,62,84)(H,64,74)(H,65,75)(H,66,80)(H,67,83)(H,68,82)(H,69,79)(H,70,81)(H,76,77)(H4,56,57,59)/t36-,37-,38-,39-,40-,41-,42-,43-/m0/s1
InChIKey
IGACZQNUZMBGFX-AQJXLSMYSA-N
Chemical Structure
2D Structure
2D structure of LHRH, Gly(10)-
CAS: 35263-73-1
CID: 3081473
Formula: C55H74N16O14
MW: 1183.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1183.3
XLogP3-1.8
Hydrogen Bond Donor Count16
Hydrogen Bond Acceptor Count16
Rotatable Bond Count31
Exact Mass1182.55704110
Monoisotopic Mass1182.55704110
Topological Polar Surface Area469 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

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