ACTH (1-26), cys-carboxamidomethyl(25)-
Basic information
- CAS
80154-41-2- Standard SMILES
CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CSCC(N)=O)C(=O)NCC(=O)O)C(C)C)C(C)C)C(C)C- InChIKey
AUFXOJPEOKJBFQ-OFUPBRTFSA-N- Molecular formula
- C143H221N43O34S2
- Average molar mass
- 3,150.7 g/mol
- Monoisotopic mass
- 3,148.6327536
Names & identifiers
- Preferred name
- ACTH (1-26), cys-carboxamidomethyl(25)-
- IUPAC
- (4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-6-amino-1-[(2S)-2-[[(2S)-1-[[2-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2R)-3-(2-amino-2-oxoethyl)sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-oxopentanoic acid
- English name
- ACTH (1-26), Cys-carboxamidomethyl(25)-
- Molecular formula
- C143H221N43O34S2
- Molecular weight
- 3150.68
Names & synonyms
Cys-cam(25)-acth(1-26)25-Cys-carboxyamidomethyl-acth (1-26)ACTH (1-26), cys-carboxamidomethyl(25)-ACTH (1-26), cysteine-carboxamidomethyl(25)-alpha1-26-Corticotropin, 25-(S-(2-amino-2-oxoethyl)-L-cysteine)-80154-41-2RefChem:109464alpha1-26-Corticotropin (pig), 25-(S-(2-amino-2-oxoethyl)-L-cysteine)-α1-26-Corticotropin (swine), 25-[S-(2-amino-2-oxoethyl)-L-cysteine]- (9CI)
Database identifiers
- CAS
80154-41-2- PubChem CID
- 129010960
Properties
Computed structural properties
- XLogP
- -9.6
- Topological polar surface area
- 1,310 Ų
- Hydrogen bond donors
- 45
- Hydrogen bond acceptors
- 45
- Rotatable bonds
- 104
- Heavy atoms
- 222
- Formal charge
- 0
- Complexity
- 7,060
Physicochemical properties
- Density
- 1.49 · 1.49±0.1 g/cm3(Predicted)
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Compound notes
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