Basic information
- CAS
96425-84-2- Standard SMILES
C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)O- InChIKey
FJMWLJWAHFHTSR-KPQYALRZSA-N- Molecular formula
- C27H37N7O6
- Average molar mass
- 555.6 g/mol
- Monoisotopic mass
- 555.2805319
Overview
tetrapeptide analog of dermorphin with Arg in position 2; RN given refers to ((L)Tyr-(D)Arg-(L)Phe-(D)Ala)-isomer; RN for cpd without isomeric designation not available 6/89
Names & identifiers
- Preferred name
- Tyrosyl-arginyl-phenylalanyl-alanine
- IUPAC
- (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoyl]amino]propanoic acid
- English name
- tyrosyl-arginyl-phenylalanyl-alanine
- Molecular formula
- C27H37N7O6
- Molecular weight
- 0
Names & synonyms
Tyrosyl-arginyl-phenylalanyl-alanineH-Tyr-arg-phe-ala-OH96425-84-2DTXSID30242254RefChem:192730DTXCID30164745D-Alanine, N-(N-(N2-L-tyrosyl-D-arginyl)-L-phenylalanyl)-L-Tyrosyl-N~5~-(diaminomethylidene)-L-ornithyl-L-phenylalanyl-L-alanine(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoyl]amino]propanoic acid
Database identifiers
- CAS
96425-84-2- PubChem CID
- 5486979
- DTXSID
DTXSID30242254
Properties
Computed structural properties
- XLogP
- -3.8
- Topological polar surface area
- 235 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 15
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 867
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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