Chemical Identifiers & Names

• Synonyms: Sermorelin; GRF (1–29); Sermorelin acetate
• CAS Number: 86168‑78‑7
• PubChem CID: 16132413
• ChemSpider ID: 17289071
• UNII: 89243S03TE
• ChEBI: 9118
• KEGG: D08509
• ChEMBL: 1201490

Molecular Formula & Mass

• Formula: C₁₄₉H₂₄₆N₄₄O₄₂S
• Molecular Weight: ≈ 3357.9 Da (average mass) / 3355.8 Da (monoisotopic) :contentReference[oaicite:1]{index=1}
• Elemental Composition (%): C 53.30 %, H 7.38 %, N 18.35 %, O 20.01 %, S 0.95 % :contentReference[oaicite:2]{index=2}

Peptide Sequence & IUPAC

• Sequence (C‑terminus amidated):
  Tyr–Ala–Asp–Ala–Ile–Phe–Thr–Asn–Ser–Tyr–Arg–Lys–Val–Leu–Gly–Gln–Leu–Ser–Ala–Arg–Lys–Leu–Leu–Gln–Asp–Ile–Met–Ser–Arg–NH₂ :contentReference[oaicite:3]{index=3}
• IUPAC Name: Full IUPAC polypeptide descriptor of a 29‑amino‑acid amidated peptide :contentReference[oaicite:4]{index=4}

Structural Identifiers

• SMILES: Long polypeptide SMILES string representing 29 amino acids :contentReference[oaicite:5]{index=5}
• InChI: Provided in monograph; encodes full stereochemistry :contentReference[oaicite:6]{index=6}
• InChIKey: WGWPRVFKDLAUQJ‑MITYVQBRSA‑N :contentReference[oaicite:7]{index=7}

Physicochemical Properties

• Rotatable Bonds: ~118 bonds :contentReference[oaicite:8]{index=8}
• H‑Bond Donors / Acceptors: Donors ~52; Acceptors ~49 :contentReference[oaicite:9]{index=9}
• Calculated logP (XlogP): –12.1 (very hydrophilic) :contentReference[oaicite:10]{index=10}
• Polar Surface Area (PSA): ~1472 Ų :contentReference[oaicite:11]{index=11}
• Specific Rotation (α_D): –63.1° (c = 1, 30% acetic acid) :contentReference[oaicite:12]{index=12}
• Melting Point: > 189 °C (decomp) :contentReference[oaicite:13]{index=13}
• Density: ~1.45–1.50 g/cm³ :contentReference[oaicite:14]{index=14}
• Solubility: Slight in water, acetic acid, TFA :contentReference[oaicite:15]{index=15}
• Storage: Solid stored at −20 °C; hygroscopic :contentReference[oaicite:16]{index=16}

Pharmaceutical Salt Form (Acetate)

• Acetate CAS: 114466‑38‑5 :contentReference[oaicite:17]{index=17}
• Formula: C₁₅₁H₂₅₀N₄₄O₄₄S :contentReference[oaicite:18]{index=18}
• Molecular Weight: ≈ 3418 Da :contentReference[oaicite:19]{index=19}
• Purity: ≥ 95 %; soluble in DMSO, not water :contentReference[oaicite:20]{index=20}

Molecular Summary

• 29-amino-acid amidated linear peptide derived from human GHRH (1–29)
• Highly polar (negative logP, large PSA, numerous H‑bond donors/acceptors)
• Large molecular size (~3.36 kDa) with 31 defined stereocenters :contentReference[oaicite:21]{index=21}
• Typical rotatable bond count (~118) indicates flexible polypeptide structure :contentReference[oaicite:22]{index=22}

References

1. Wikipedia: “Sermorelin” – identifiers, sequence, SMILES, InChIKey etc. :contentReference[oaicite:23]{index=23}
2. The Merck Index Online monograph – molecular formula, weight, elemental %, InChI :contentReference[oaicite:24]{index=24}
3. ChemSpider: Sermorelin entry – average/monoisotopic mass, stereocenters, SMILES :contentReference[oaicite:25]{index=25}
4. DrugMAP / DDInter – rotatable bonds, H‑bond counts, logP :contentReference[oaicite:26]{index=26}
5. ChemicalBook – physicochemical details: melting point, rotation, density, solubility, hygroscopicity :contentReference[oaicite:27]{index=27}
6. MuseChem – acetate salt: CAS, formula, weight, solubility, SMILES :contentReference[oaicite:28]{index=28}
7. Chemsrc – PSA, exact mass, suppliers, purity :contentReference[oaicite:29]{index=29}