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Chemical structure of Deslorelin
Peptides

Deslorelin

德舍瑞林

PHY-NP-04766 · Natural product research catalog

Catalog numberPHY-NP-04766
CAS number57773-65-6
Molecular formulaC64H83N17O12
Molecular weight1282.475 g/mol
Chemical classPeptides
Purity / assayConfirmed in quotation and batch COA

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Product information

Deslorelin is listed in the Peptides section of the Phytide Bio research catalog. Standard pack sizes are 5, 10, 20, 50 and 100 mg.

For research use only. Not for human or veterinary use, diagnosis or treatment.

Names & identifiers

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
SMILESCCNC(=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
InChIKeyGJKXGJCSJWBJEZ-XRSSZCMZSA-N
Subclass / scaffoldLinear peptides RiPPs-Lasso peptides
PubChem CID25077495

Computed properties & structure classification

Exact mass (Da)1281.6407Predicted LogP-0.7602
Predicted TPSA (Ų)447.33H-bond donors16
H-bond acceptors14Rotatable bonds32
Ring count8Aromatic rings6
Fraction Csp³0.438Synthetic accessibility score6.05
QED score0.014Lipinski rule violations3
NPClassifier pathwayAmino acids and PeptidesNPClassifier superclassOligopeptides
NPClassifier classLinear peptides;RiPPs-Lasso peptidesParent SMILESCCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1
Parent formulaC64H83N17O12Parent molecular weight1282.475
Specified stereocenters9Unspecified stereocenters0

Structure-derived values from the supplied dataset; not measured batch specifications or experimentally verified activity.

Reported natural occurrence

LOTUS species records0
LOTUS reference records0
COCONUT organism records0

Occurrence records are inherited from the supplied dataset. They do not establish manufacturing origin, batch traceability or independent literature verification. Taxonomic names may include synonyms.

Structure resources

Documents & specifications

Certificate of analysis (COA)Batch-specific document pending; not available in this preview
Safety data sheet (SDS)Not yet published
Storage / solubilityProduct-specific conditions to be confirmed
ShippingConfirmed with the quotation

Request applicable documentation and handling information before ordering or use.