Immunocorticotropin
Basic information
- CAS
150035-99-7- Standard SMILES
CC(C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)O)C(C)C)C(C)C- InChIKey
DFPJZTGPSSEBSP-ADDFTTBFSA-N- Molecular formula
- C46H85N13O13
- Average molar mass
- 1,028.2 g/mol
- Monoisotopic mass
- 1,027.63897982
Overview
corresponds to the sequence 11-20 of the variable part of the human immunoglobulin G1 heavy chain
Names & identifiers
- Preferred name
- Immunocorticotropin
- IUPAC
- (2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-methylbutanoyl]amino]hexanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]-3-methylbutanoic acid
- English name
- immunocorticotropin
- Molecular formula
- C46H85N13O13
- Molecular weight
- 1028.25
Names & synonyms
ImmunocorticotropinImmunocortin150035-99-7Val-lys-lys-pro-gly-ser-ser-val-lsy-valValyl-lysyl-lysyl-prolyl-glycyl-seryl-seryl-valyl-lysyl-valineL-Valine, N-(N2-(N-(N-(N-(N-(1-(N2-(N2-L-valyl-L-lysyl)-L-lysyl)-L-prolyl)glycyl)-L-seryl)-L-seryl)-L-valyl)-L-lysyl)-RefChem:923352H-Val-Lys-Lys-Pro-Gly-Ser-Ser-Val-Lys-Val-OH(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-methylbutanoyl]amino]hexanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]-3-methylbutanoic acidSCHEMBL30534201L-Valine, L-valyl-L-lysyl-L-lysyl-L-prolylglycyl-L-seryl-L-seryl-L-valyl-L-lysyl- (9CI)
Database identifiers
- CAS
150035-99-7- PubChem CID
- 132902
Properties
Computed structural properties
- XLogP
- -6.2
- Topological polar surface area
- 435 Ų
- Hydrogen bond donors
- 15
- Hydrogen bond acceptors
- 17
- Rotatable bonds
- 35
- Heavy atoms
- 72
- Formal charge
- 0
- Complexity
- 1,790
Physicochemical properties
- Boiling point
- 1423 · 1423.0±65.0 °C(Predicted)
- Density
- 1.241 · 1.241±0.06 g/cm3(Predicted)
- pka
- 3.33 · 3.33±0.10(Predicted)
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Compound notes
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