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Deslorelin Acetate

CAT: 1601-CCP2249-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1601-CCP2249-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Peptide to Deslorelin Acetate
CAS Number
57773-65-6
Structure Composition
Pyr-His-Trp-Ser-Tyr-D-Trp-Leu-Arg-Pro-NHEt
Purity
> 95%
Form
Lyophilized powder
Molecular Formula
C64H83N17O12
Molecular Weight
1282.47
Storage Conditions
Shipped at 4°C. Store at -20°C for one year.
Light Source
Synthetic

Chemical Information

Deslorelin

Deslorelin is an oligopeptide.

CAS Number57773-65-6
PubChem CID25077495
IUPAC Name(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[(2S)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-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 FormulaC64H83N17O12
Molecular Weight1282.4
XLogP1.1
Topological Polar Surface Area447
Hydrogen Bond Donor Count16
Hydrogen Bond Acceptor Count14
Rotatable Bond Count32
Heavy Atom Count93
Formal Charge0
Complexity2610
SMILES
CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)[C@H](CC7=CN=CN7)NC(=O)[C@@H]8CCC(=O)N8
InChI
InChI=1S/C64H83N17O12/c1-4-68-62(92)53-16-10-24-81(53)63(93)46(15-9-23-69-64(65)66)74-56(86)47(25-35(2)3)75-58(88)49(27-37-30-70-43-13-7-5-11-41(37)43)77-57(87)48(26-36-17-19-40(83)20-18-36)76-61(91)52(33-82)80-59(89)50(28-38-31-71-44-14-8-6-12-42(38)44)78-60(90)51(29-39-32-67-34-72-39)79-55(85)45-21-22-54(84)73-45/h5-8,11-14,17-20,30-32,34-35,45-53,70-71,82-83H,4,9-10,15-16,21-29,33H2,1-3H3,(H,67,72)(H,68,92)(H,73,84)(H,74,86)(H,75,88)(H,76,91)(H,77,87)(H,78,90)(H,79,85)(H,80,89)(H4,65,66,69)/t45-,46-,47-,48-,49+,50-,51-,52-,53-/m0/s1
InChIKey
GJKXGJCSJWBJEZ-XRSSZCMZSA-N
Chemical Structure
2D Structure
2D structure of Deslorelin
CAS: 57773-65-6
CID: 25077495
Formula: C64H83N17O12
MW: 1282.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1282.4
XLogP31.1
Hydrogen Bond Donor Count16
Hydrogen Bond Acceptor Count14
Rotatable Bond Count32
Exact Mass1281.64071115
Monoisotopic Mass1281.64071115
Topological Polar Surface Area447 Ų
Heavy Atom Count93
Formal Charge0
Complexity2610
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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Alternative Products

CatalogName
FD41614-01Deslorelin acetate
MBS5765541Deslorelin acetate (57773-65-6 free base)
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