N-Acetyl-gastrin releasing peptide (20-26) ethyl ester
Basic information
- CAS
122001-05-2- Standard SMILES
CCN[C@@H](CC(C)C)C(=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(C)C- InChIKey
XBNURIXAUURNDW-QQOSZXOGSA-N- Molecular formula
- C43H61N13O8
- Average molar mass
- 888 g/mol
- Monoisotopic mass
- 887.47660596
Overview
gastrin releasing peptide analog
Names & identifiers
- Preferred name
- N-Acetyl-gastrin releasing peptide (20-26) ethyl ester
- IUPAC
- (2S)-N-[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-3-(1H-imidazol-5-yl)propanoyl]-2-(ethylamino)-4-methylpentanamide
- English name
- N-acetyl-gastrin releasing peptide (20-26) ethyl ester
- Molecular formula
- C43H61N13O8
- Molecular weight
- 888.03
Names & synonyms
N-Grp-EEN-Acetyl-gastrin releasing peptide (20-26) ethyl ester122001-05-2N-Acetyl-grp-20-26-och2CH3DTXSID40153463RefChem:162612DTXCID4075954L-Leucinamide, N-acetyl-L-histidyl-L-tryptophyl-L-alanyl-L-valylglycyl-L-histidyl-N-ethyl-N-Acetyl-L-histidyl-L-tryptophyl-L-alanyl-L-valylglycyl-N-[(2S)-2-(ethylamino)-4-methylpentanoyl]-L-histidinamideN-Acetyl-gastrin kissing peptide (20-26) ethyl esterL-Leucinamide, N-acetyl-L-histidyl-L-tryptophyl-L-alanyl-L-valylglycyl-L-histidyl-N-ethyl- (9CI)
Database identifiers
- CAS
122001-05-2- PubChem CID
- 5487219
- DTXSID
DTXSID40153463
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 306 Ų
- Hydrogen bond donors
- 11
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 24
- Heavy atoms
- 64
- Formal charge
- 0
- Complexity
- 1,620
Physicochemical properties
- Boiling point
- 1471.6 · 1471.6±65.0 °C(Predicted)
- Density
- 1.277 · 1.277±0.06 g/cm3(Predicted)
- pka
- 13.15 · 13.15±0.46(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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