RC 161
Basic information
- CAS
103237-51-0- Standard SMILES
CC(=O)NC(Cc1ccccc1)C(=O)NC1CSSCC(C(=O)NC(C(N)=O)C(C)O)NC(=O)C(C(C)C)NC(=O)C(CCCCN)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(Cc2ccc(O)cc2)NC1=O- InChIKey
RDQAXLBMDMKOLS-XCXDQCMESA-N- Molecular formula
- C52H69N11O11S2
- Average molar mass
- 1,088.3 g/mol
- Monoisotopic mass
- 1,087.46194441
Overview
octapeptide analog of somatostatin
Names & identifiers
- Preferred name
- RC 161
- IUPAC
- 19-[(2-acetamido-3-phenylpropanoyl)amino]-10-(4-aminobutyl)-N-(1-amino-3-hydroxy-1-oxobutan-2-yl)-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-7-propan-2-yl-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
- English name
- RC 161
- Molecular formula
- C52H69N11O11S2
- Molecular weight
- 1088.31
Names & synonyms
RC-161103237-51-0RC 161RefChem:17868319-[(2-acetamido-3-phenylpropanoyl)amino]-10-(4-aminobutyl)-N-(1-amino-3-hydroxy-1-oxobutan-2-yl)-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-7-propan-2-yl-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamideSCHEMBL30670730L-Threoninamide, N-acetyl-D-phenylalanyl-L-cysteinyl-L-tyrosyl-D-tryptophyl-L-lysyl-L-valyl-L-cysteinyl-, cyclic (2-7)-disulfideL-Threoninamide, N-acetyl-D-phenylalanyl-L-cysteinyl-L-tyrosyl-D-tryptophyl-L-lysyl-L-valyl-L-cysteinyl-, cyclic (2→7)-disulfide (9CI)
Database identifiers
- CAS
103237-51-0- PubChem CID
- 128294
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 409 Ų
- Hydrogen bond donors
- 13
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 18
- Heavy atoms
- 76
- Formal charge
- 0
- Complexity
- 1,980
Physicochemical properties
- Boiling point
- 1533.7 · 1533.7±65.0 °C(Predicted)
- Density
- 1.39 · 1.39±0.1 g/cm3(Predicted)
- pka
- 9.9 · 9.90±0.15(Predicted)
Chemistry & industry
Applications
DescriptionRC 161 is an octapeptide analog of somatostatin.
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Compound notes
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