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Deslorelin

CAT: 0926-FD21216-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0926-FD21216-01Size:2 mg
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CAS Number
57773-65-6
Synonyms
6-D-Tryptophan-9- (N-ethyl-L-prolinamide) -1-9-luteinizing hormone-releasing factor (swine) ; Bachem 9022; D-Trp LHRH-PEA
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
Molecular Formula
C64H83N17O12
Molecular Weight
1,282.45 g/mol
Controlled
No

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

Alternative Products

CatalogName
PT_40392-01Deslorelin (Deslorelin)
OM300333-01Deslorelin
MBS8246405-01Deslorelin Acetate
OPPA01008-5MGDeslorelin Protein
GTR18984382-01Deslorelin peptide
TRC-D577310-1GDeslorelin Monoacetate
D3220-75-01Deslorelin discontinued

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