Basic information
- CAS
79232-04-5- Standard SMILES
C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccc(N)cc2)NC1=O- InChIKey
OMFOHXDJMSLMPG-LPRMTQTQSA-N- Molecular formula
- C79H102N18O19S2
- Average molar mass
- 1,671.9 g/mol
- Monoisotopic mass
- 1,670.70100544
Overview
RN given refers to L-Phe-D-Trp isomer
Names & identifiers
- Preferred name
- Somatostatin, 4-NH2-phe(4)-trp(8)-
- IUPAC
- (4R,7S,10S,13S,16S,19S,22R,25S,28S,31S,34S,37R)-19-(4-aminobutyl)-31-(2-amino-2-oxoethyl)-34-[(4-aminophenyl)methyl]-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
- English name
- somatostatin, 4-NH2-Phe(4)-Trp(8)-
- Molecular formula
- C79H102N18O19S2
- Molecular weight
- 1671.89
Names & synonyms
4-(4-NH2-Phe)-8-trp-somatostatinSomatostatin, 4-NH2-phe(4)-trp(8)-4-(4-Aminophenylalanyl)-8-tryptophan-somatostatinSomatostatin, 4-aminophenylalanyl(4)-tryptophan(8)-79232-04-5RefChem:1842804-(4-Amino-L-phenylalanine)-8-D-tryptophansomatostatin (sheep)Somatostatin (sheep), 4-(4-amino-L-phenylalanine)-8-D-tryptophan-PubChem ID: 129010934Somatostatin (sheep), 4-(4-amino-L-phenylalanine)-8-D-tryptophan- (9CI)
Database identifiers
- CAS
79232-04-5- PubChem CID
- 129010934
Properties
Computed structural properties
- XLogP
- -2
- Topological polar surface area
- 664 Ų
- Hydrogen bond donors
- 22
- Hydrogen bond acceptors
- 24
- Rotatable bonds
- 24
- Heavy atoms
- 118
- Formal charge
- 0
- Complexity
- 3,370
Physicochemical properties
- Boiling point
- 2006 · 2006.0±65.0 °C(Predicted)
- Density
- 1.44 · 1.44±0.1 g/cm3(Predicted)
- pka
- 2.94 · 2.94±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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