CMTI protein, Cucurbita maxima
Basic information
- CAS
79044-57-8- Standard SMILES
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCNC(=N)N)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(C)C- InChIKey
OITUEZVAARHZKE-JRCIYQLVSA-N- Molecular formula
- C134H221N39O42S7
- Average molar mass
- 3,274.9 g/mol
- Monoisotopic mass
- 3,272.4401304
Overview
amino acid sequence given in first source
Names & identifiers
- Preferred name
- CMTI protein, Cucurbita maxima
- IUPAC
- (4S)-4-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2R)-2-[[(2S)-2-[[(2S)-2-amino-5-carbamimidamidopentanoyl]amino]-3-methylbutanoyl]amino]-3-sulfanylpropanoyl]pyrrolidine-2-carbonyl]amino]-5-carbamimidamidopentanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-carboxybutanoyl]amino]-3-sulfanylpropanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-carboxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-sulfanylpropanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-5-[[(2R)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-4-carboxy-1-[[(2S)-1-[[2-[[(2S)-1-[[(2R)-1-(carboxymethylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid
- English name
- Cucurbita maxima trypsin inhibitor III
- Molecular formula
- C135H226N40O40S7
- Molecular weight
- 3274.87964
Names & synonyms
CMTI protein, Cucurbita maxima79044-57-8RefChem:918847Cmti-IIITrypsin inhibitor III (Cucurbita maxima seed reduced)Cucurbita maxima trypsin inhibitor IIIGlycine, L-arginyl-L-valyl-L-cysteinyl-L-prolyl-L-arginyl-L-isoleucyl-L-leucyl-L-methionyl-L-lysyl-L-cysteinyl-L-lysyl-L-lysyl-L-α-aspartyl-L-seryl-L-α-aspartyl-L-cysteinyl-L-leucyl-L-alanyl-L-α-glutamyl-L-cysteinyl-L-valyl-L-cysteinyl-L-leucyl-L-α-glutamyl-L-histidylglycyl-L-tyrosyl-L-cysteinyl-
Database identifiers
- CAS
79044-57-8- PubChem CID
Properties
Computed structural properties
- XLogP
- -13.2
- Topological polar surface area
- 1,330 Ų
- Hydrogen bond donors
- 51
- Hydrogen bond acceptors
- 55
- Rotatable bonds
- 111
- Heavy atoms
- 222
- Formal charge
- 0
- Complexity
- 7,230
Physicochemical properties
- Density
- 1.5 · 1.50±0.1 g/cm3(Predicted)
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Compound notes
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