Deslorelin

CAT: 0127-BITH3011-03Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-BITH3011-03Size:100 mg

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CAS Number

57773-65-6

MDL Number

MFCD00167401

Smiles

CC\N=C(/O)\[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)\N=C(/O)\[C@H](CC(C)C)\N=C(/O)\[C@@H](Cc2c[nH]c3ccccc23)\N=C(\O)/[C@H](Cc4ccc(O)cc4)\N=C(\O)/[C@H](CO)\N=C(\O)/[C@H](Cc5c[nH]c6ccccc56)\N=C(\O)/[C@H](Cc7cnc[nH]7)\N=C(\O)/[C@@H]8CCC(=N8)O

Storage Conditions

Store at -20°C

Chemical Information

Deslorelin

Deslorelin is an oligopeptide.

CAS Number	57773-65-6
PubChem CID	25077495
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 Formula	C64H83N17O12
Molecular Weight	1282.4
XLogP	1.1
Topological Polar Surface Area	447
Hydrogen Bond Donor Count	16
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	32
Heavy Atom Count	93
Formal Charge	0
Complexity	2610

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

CAS: 57773-65-6

CID: 25077495

Formula: C64H83N17O12

MW: 1282.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	1282.4
XLogP3	1.1
Hydrogen Bond Donor Count	16
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	32
Exact Mass	1281.64071115
Monoisotopic Mass	1281.64071115
Topological Polar Surface Area	447 Å²
Heavy Atom Count	93
Formal Charge	0
Complexity	2610
Isotope Atom Count	0
Defined Atom Stereocenter Count	9
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
PT_40392-01	Deslorelin (Deslorelin)
OM300333-01	Deslorelin
FD41614-01	Deslorelin acetate
OPPA01008-5MG	Deslorelin Protein
GTR18984382-01	Deslorelin peptide
TRC-D577310-1G	Deslorelin Monoacetate
D3220-75-01	Deslorelin discontinued

Deslorelin

Chemical Information

Alternative Products

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