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Somatostatin-14

Athanor · official

C76H104N18O19S2 · 1637.9 g/mol

IUPAC name: (4R,7S,10S,13S,16S,19S,22S,25S,28S,31S,34S,37R)-19,34-bis(4-aminobutyl)-31-(2-amino-2-oxoethyl)-37-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]-13,25,28-tribenzyl-10,16-bis[(1R)-1-hydroxyethyl]-7-(hydroxymethyl)-22-(1H-indol-3-ylmethyl)-6,9,12,15,18,21,24,27,30,33,36-undecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35-undecazacyclooctatriacontane-4-carboxylic acid

Also called somatostatin, SST, growth hormone-inhibiting hormone, GHIH, SRIF, 14-residue peptide

Hormones
Open in Athanor
The structure of Somatostatin-14
Drawn from its SMILES with RDKit

Names and identifiers

IUPAC name
(4R,7S,10S,13S,16S,19S,22S,25S,28S,31S,34S,37R)-19,34-bis(4-aminobutyl)-31-(2-amino-2-oxoethyl)-37-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]-13,25,28-tribenzyl-10,16-bis[(1R)-1-hydroxyethyl]-7-(hydroxymethyl)-22-(1H-indol-3-ylmethyl)-6,9,12,15,18,21,24,27,30,33,36-undecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35-undecazacyclooctatriacontane-4-carboxylic acid
Synonyms
somatostatin, SST, growth hormone-inhibiting hormone
+ 40 more

GHIH, SRIF, 14-residue peptide, SOMATOSTATIN, Somatostatina, Somatostatine, Somatostatin 14, Cyclic Somatostatin, Somatostatinum, Somatostatin, cyclic, Synthetic somatostatin-14, Somatostatin-1, 6E20216Q0L, Panhibin, CHEBI:64628, Somatotropin release-inhibiting factor, DTXSID8046793, AY 24910, DTXCID6026793, SRIH-14, Somatotropin release inhibiting factor, Recombinant Somatostatin, GH-RIH, RefChem:184270, H01CB01, 254-186-5, 256-969-7, (4R,7S,10S,13S,16S,19S,22S,25S,28S,31S,34S,37R)-19,34-bis(4-aminobutyl)-31-(2-amino-2-oxoethyl)-37-((2-(((2S)-2-aminopropanoyl)amino)acetyl)amino)-13,25,28-tribenzyl-10,16-bis((1R)-1-hydroxyethyl)-7-(hydroxymethyl)-22-(1H-indol-3-ylmethyl)-6,9,12,15,18,21,24,27,30,33,36-undecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35-undecazacyclooctatriacontane-4-carboxylic acid, Somatostatin (sheep), Stilamin, SRIF 14, 15-28-Somatostatin-28, Somatostatine [INN-French], Somatostatinum [INN-Latin], Somatostatina [INN-Spanish], Somatostatin (rat), CCRIS 3629, Somatostatin (human), Somatostatin (pigeon), EINECS 254-186-5

Molecular formula
C76H104N18O19S2
Empirical formula
C76H104N18O19S2
Molecular weight
1637.9 g/mol
Exact mass
1636.71666
CAS number
38916-34-6
PubChem CID
16129706
Canonical SMILES
CC(C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=CC=C4)CC5=CC=CC=C5)CC(=O)N)CCCCN)NC(=O)CNC(=O)C(C)N)C(=O)O)CO)C(C)O)CC6=CC=CC=C6)O
Isomeric SMILES
C[C@H]([C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=CC=C4)CC5=CC=CC=C5)CC(=O)N)CCCCN)NC(=O)CNC(=O)[C@H](C)N)C(=O)O)CO)[C@@H](C)O)CC6=CC=CC=C6)O
InChI
InChI=1S/C76H104N18O19S2/c1-41(79)64(100)82-37-61(99)83-58-39-114-115-40-59(76(112)113)92-72(108)57(38-95)91-75(111)63(43(3)97)94-71(107)54(33-46-23-11-6-12-24-46)90-74(110)62(42(2)96)93-66(102)51(28-16-18-30-78)84-69(105)55(34-47-36-81-49-26-14-13-25-48(47)49)88-68(104)53(32-45-21-9-5-10-22-45)86-67(103)52(31-44-19-7-4-8-20-44)87-70(106)56(35-60(80)98)89-65(101)50(85-73(58)109)27-15-17-29-77/h4-14,19-26,36,41-43,50-59,62-63,81,95-97H,15-18,27-35,37-40,77-79H2,1-3H3,(H2,80,98)(H,82,100)(H,83,99)(H,84,105)(H,85,109)(H,86,103)(H,87,106)(H,88,104)(H,89,101)(H,90,110)(H,91,111)(H,92,108)(H,93,102)(H,94,107)(H,112,113)/t41-,42+,43+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,62-,63-/m0/s1
InChIKey
NHXLMOGPVYXJNR-ATOGVRKGSA-N
Molfile

Names, InChI and the identifiers from PubChem, retrieved 2026-10-14.

Calculated

Heavy atoms
115
Rings
6
Aromatic rings
5
Fraction sp³ carbons (Fsp3)
0.46
H-bond donors
22
H-bond acceptors
23 computed here · PubChem 24
Rotatable bonds
26
TPSA (Ų)
613.2 computed here · PubChem 664
Formal charge
0
XLogP3
-3.1 PubChem
Complexity
3240 PubChem
Stereocenters
15 definedCIP: C2: S · C11: R · C17: S · C26: S · C34: S · C45: S · C56: S · C70: S · C79: S · C80: R · C86: S · C97: S
Double-bond geometry
None specified
Point group
C1 of one 3D conformer with its hydrogens, by Athanor’s engine (as in the app)

Elemental analysis

  • C55.73%
  • H6.40%
  • N15.39%
  • O18.56%
  • S3.92%

Isotope pattern

100%1636.71792%1637.71955%1638.72125%1639.7228.9%1640.7232.7%1641.7241642.7251643.726

Each peak is a nominal mass with its abundance-weighted exact mass, as a percentage of the tallest, from IUPAC natural isotope abundances.

Computed from the structure with RDKit 2026.09 when this page was built, beside PubChem's own computed values from its record; where the two differ, both are shown.

Predicted

log P
-4.91 Crippen (Wildman and Crippen 1999)
log S (water solubility)
-5.36 ESOL (Delaney 2004), log mol/L
Synthetic accessibility
7.79 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)

Drug-likeness: Lipinski’s rule of five

  • Molecular weight ≤ 500: 1637.91
  • log P ≤ 5 (Crippen): -4.91
  • H-bond donors ≤ 5: 22
  • H-bond acceptors ≤ 10: 23

Breaks 3 of the four rules.

¹³C NMR shifts, predicted

Predictions, not measurements; each names its method. A measured log P, where a source reports one, is under Physical properties.

Safety

No GHS hazard classification was found in the sources.

Safety data sheets on the supplier’s page: BOC Sciences, AvaChem Scientific, eMolecules.

Always read the supplier’s safety data sheet before working with it.

Literature

Reading PubChem, OpenAlex and GSRS…

Bioactivity

Reading ChEMBL…

References

  1. ·Calculated values: computed by Athanor with RDKit 2026.09 from the structure.
  2. ·Literature on PubChem

Data last updated 2026-10-14.