Enkephalin, ala(2)-O-benzyl-ser(5)-
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Basic information
- CAS
86248-85-3- Standard SMILES
C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](COCc1ccccc1)C(=O)O- InChIKey
HVQDXNFVVVKJPV-VKKANWSESA-N- Molecular formula
- C33H39N5O8
- Average molar mass
- 633.7 g/mol
- Monoisotopic mass
- 633.27986322
Names & identifiers
- Preferred name
- Enkephalin, ala(2)-O-benzyl-ser(5)-
- IUPAC
- (2S)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-phenylmethoxypropanoic acid
- English name
- (2S)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propano yl]amino]propanoyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-3-phe nylmethoxy-propanoic acid
- Molecular formula
- C33H39N5O8
- Molecular weight
- 633.69146
Names & synonyms
Abs-enkephalinEnkephalin, ala(2)-O-benzyl-ser(5)-2-Ala-O-benzyl-5-ser-enkephalin86248-85-3Enkephalin, alanyl(2)-O-benzylserine(5)-DTXSID40235455Enkephalin, 2-alanyl-O-benzyl-5-serine-RefChem:136861DTXCID40157946L-Serine, O-(phenylmethyl)-N-(N-(N-(N-L-tyrosyl-D-alanyl)glycyl)-L-phenylalanyl)-L-Tyrosyl-D-alanylglycyl-L-phenylalanyl-O-benzyl-L-serine(2S)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propano yl]amino]propanoyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-3-phe nylmethoxy-propanoic acid
Database identifiers
- CAS
86248-85-3- PubChem CID
- 5487718
- DTXSID
DTXSID40235455
Properties
Computed structural propertiesFilling in
- XLogP
- -1.4
- Topological polar surface area
- 209 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 17
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 993
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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