BW 633C
Basic information
- CAS
101559-44-8- Standard SMILES
CC[C@H](C)[C@H](NC(=O)[C@@H](NCC(O)C(CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1cnc[nH]1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC- InChIKey
WZGIATGBIBDSMA-DAOGVMBFSA-N- Molecular formula
- C54H78N12O9
- Average molar mass
- 1,039.3 g/mol
- Monoisotopic mass
- 1,038.60147211
Overview
octapeptide with aminoalcohol (AA) linkage between Leu & Val; structure given in first source
Names & identifiers
- Preferred name
- BW 633C
- IUPAC
- methyl (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[3-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-2-hydroxy-5-methylhexyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoate
- English name
- BW 633C
- Molecular formula
- C54H78N12O9
- Molecular weight
- 1039.27
Names & synonyms
101559-44-8BW 633CBW-633CBW-633-CL-Phenylalanine, N-(N-(N-(3-((N-(N-(1-L-histidyl-L-prolyl)-L-phenylalanyl)-L-histidyl)amino)-2-hydroxy-5-methylhexyl)-L-valyl)-L-isoleucyl)-, methyl esterRefChem:122413methyl (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[3-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-2-hydroxy-5-methylhexyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoate101559-48-2His-pro-phe-his-leu-(AA)-val-ile-phe-omeorb1986346AKOS040750951T30642
Show more names
BW633C BW-633-CL-Phenylalanine, N-[3-[(L-histidyl-L-prolyl-L-phenylalanyl-L-histidyl)amino]-2-hydroxy-5-methylhexyl]-L-valyl-L-isoleucyl-, methyl ester (9CI)
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 308 Ų
- Hydrogen bond donors
- 10
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 30
- Heavy atoms
- 75
- Formal charge
- 0
- Complexity
- 1,830
Physicochemical properties
- Boiling point
- 1342 · 1342.0±65.0 °C(Predicted)
- Density
- 1.236 · 1.236±0.06 g/cm3(Predicted)
- pka
- 13.44 · 13.44±0.20(Predicted)
Chemistry & industry
Applications
DescriptionBW 633C is an octapeptide with aminoalcohol (AA) linkage between Leu & Val.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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