(D-Lys16)-ACTH (1-24) (human, bovine, rat)
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Basic information
- CAS
494750-52-6- Standard SMILES
[H]/N=C(\N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@H](CCCCCN)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](CCCN/C(N)=N/[H])C(=O)N[C@@H](CCCN/C(N)=N/[H])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)O)C(C)C)C(C)C)C(C)C- InChIKey
LGHTZZJFZQGIRU-YSRPLTKDSA-N- Molecular formula
- C137H212N40O31S
- Average molar mass
- 2,947.5 g/mol
Names & identifiers
- Preferred name
- (D-Lys16)-ACTH (1-24) (human, bovine, rat)
- IUPAC
- (2S)-1-[(2S)-2-[[(2S)-2-[[(2R)-6-amino-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2R)-6-amino-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-1-[(2R)-7-amino-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-carboxybutanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]heptanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]acetyl]amino]hexanoyl]amino]hexanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid
- English name
- (D-Lys16)-acth (1-24) (human, bovine, mouse, ovine, porcine, rabbit, rat)
- Molecular formula
- C136H210N40O31S
- Molecular weight
- 2933.44
Names & synonyms
494750-52-6(D-Lys16)-ACTH (1-24) (human, bovine, rat) trifluoroacetate salt(D-Lys16)-ACTH (1-24) (human, bovine, rat)H-SYSMEHFRWGKPVGK(dK)RRPVKV YP-OHDA-69151FL109431(D-Lys1?)-ACTH (1-24) (human, bovine, rat)H-Ser-Tyr-Ser-Met-Glu-His-Phe-Arg-Trp-Gly-Lys-Pro-Val-Gly-Lys-D-Lys -Arg-Arg-Pro-Val-Lys-Val-Tyr-Pro-OH[D-Lys16]-ACTH(D-Lys16)-Tetracosactide(D-Lys1)-ACTH (1-24) (human, bovine, rat)(D-Lys??)-ACTH (1-24) (human, bovine, rat)
Show more names
(DLys16)-ACTH(1-24)human, bovine, mouse, ovine, po(D-Lys16)-ACTH (1-24) (huMan, bovine, rat) (D-Lys16)-TetracosactideH-Ser-Tyr-Ser-Met-Glu-His-Phe-Arg-Trp-Gly-Lys-Pro-Val-Gly-Lys-D-Lys-Arg-Arg-Pro-Val-Lys-Val-Tyr-Pro-OH
Properties
Computed structural propertiesFilling in
- XLogP
- -7.6
- Topological polar surface area
- 1,180 Ų
- Hydrogen bond donors
- 42
- Hydrogen bond acceptors
- 41
- Rotatable bonds
- 97
- Heavy atoms
- 209
- Formal charge
- 0
- Complexity
- 6,530
Physicochemical properties
- Density
- 1.47 · 1.47±0.1 g/cm3(Predicted)
- Sequence
- Ser-Tyr-Ser-Met-Glu-His-Phe-Arg-Trp-Gly-Lys-Pro-Val-Gly-Lys-{d-Lys}-Arg-Arg-Pro-Val-Lys-Val-Tyr-Pro
Chemistry & industry
Applications
Uses(D-Lys16)-ACTH (1-24) (human, bovine, mouse, ovine, porcine, rabbit, rat) is the reaction product with gadolinium tetraazacyclododecanetriacetate derivative. (D-Lys16)-ACTH (1-24) (human, bovine, mouse, ovine, porcine, rabbit, rat) involves in preparation of tetraazacyclododecane macrocycle metal complexes for production of conjugates with biomolecules and for use as NMR contrast agents, radiodiagnostic agents and for radioresearch[1][2].
Related reactions
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No reaction records under the current filter.
Compound notes
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