Basic information
- CAS
117682-76-5- Standard SMILES
CC[C@H](C)[C@H](NC(=O)CCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(N)=O)[C@@H](C)CC)C(C)C- InChIKey
MGYZVMMHKLKEHR-QTRCTKFUSA-N- Molecular formula
- C117H187N31O28S
- Average molar mass
- 2,508 g/mol
- Monoisotopic mass
- 2,506.3882556
Overview
amino acid sequence, 24 residues, given in first source; RN from CA Index Guide
Names & identifiers
- Preferred name
- Magainin G
- IUPAC
- (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[2-[[(2S,3S)-2-(3-aminopropanoylamino)-3-methylpentanoyl]amino]acetyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-5-[[(2S,3S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid
- English name
- magainin G
- Molecular formula
- C117H187N31O28S
- Molecular weight
- 2508.03
Names & synonyms
Magainin G117682-76-5DTXSID00151869RefChem:155140DTXCID8074360Magainin I (Xenopus laevis), 1-beta-alanine-10-L-lysine-13-L-alanine-18-L-alanine-22-L-asparagine-23-L-serinamide-SCHEMBL29509767beta-Alanyl-L-isoleucylglycyl-L-lysyl-L-phenylalanyl-L-leucyl-L-histidyl-L-seryl-L-alanyl-L-lysyl-L-lysyl-L-phenylalanyl-L-alanyl-L-lysyl-L-alanyl-L-phenylalanyl-L-valyl-L-alanyl-L-alpha-glutamyl-L-isoleucyl-L-methionyl-L-asparaginyl-L-serinamideβAla-Ile-Gly-Lys-Phe-Leu-His-Ser-Ala-Lys-Lys-Phe-Ala-Lys-Ala-Phe-Val-Ala-Glu-Ile-Met-Asn-Ser-NH2L-Serinamide, β-alanyl-L-isoleucylglycyl-L-lysyl-L-phenylalanyl-L-leucyl-L-histidyl-L-seryl-L-alanyl-L-lysyl-L-lysyl-L-phenylalanyl-L-alanyl-L-lysyl-L-alanyl-L-phenylalanyl-L-valyl-L-alanyl-L-α-glutamyl-L-isoleucyl-L-methionyl-L-asparaginyl-
Properties
Computed structural properties
- XLogP
- -5.1
- Topological polar surface area
- 988 Ų
- Hydrogen bond donors
- 33
- Hydrogen bond acceptors
- 35
- Rotatable bonds
- 87
- Heavy atoms
- 177
- Formal charge
- 0
- Complexity
- 5,280
Physicochemical properties
- Boiling point
- 2445.3 · 2445.3±65.0 °C(Predicted)
- Density
- 1.259 · 1.259±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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