chempirical

Somatostatin

C76H104N18O19S2CAS 51110-01-11637.90 g/mol

Open in Covalent MOL file
ONHONHONHONHSSONHONHONHONHONHONHONHH2NHNONH2NH2NHONHONH2OHOOHHOHO
AlcoholAmideCarboxylic acidDisulfideLactamPrimary amine

Properties

Molecular formula
C76H104N18O19S2
Molar mass
1637.90 g/mol
Exact mass
1636.7167 Da
logP
-4.91Crippen estimate
Polar surface area
613.2 Ų
H-bond donors / acceptors
22 / 23
Rotatable bonds
26

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
51110-01-1
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
InChIKey
NHXLMOGPVYXJNR-UHFFFAOYSA-N
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)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

16 names · show all
  • Growth hormone release-inhibiting factor
  • Somatotropin release-inhibiting factor
  • SRIF
  • AY 24910
  • Growth hormone release-inhibiting hormone
  • Somatostatin-14
  • Panhibin
  • Somatotropin release-inhibiting hormone
  • SIF
  • Aminopan
  • Somiaton
  • SRIF 14
  • GH-RIF
  • Somastin sb
  • 1: PN: WO2014070965 PAGE: 35 claimed sequence
  • Stilamin

Work with Somatostatin

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Somatostatin38916-34-6Defined stereoisomer

Similar compounds

Charybdotoxin95751-30-762 % similar Teduglutide197922-42-256 % similar Vapreotide103222-11-355 % similar Glucagon16941-32-555 % similar Nociceptin170713-75-455 % similar Acetyl decapeptide-3935288-50-954 % similar H-Ala-gln-asp-phe-val-gln-trp-leu-met-asn-thr-oh64790-15-454 % similar Albiglutide782500-75-854 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook