Tyrosyl-alanyl-delta-phenylalanyl-glycinamide
Basic information
- CAS
97992-01-3- Standard SMILES
C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCC(N)=O- InChIKey
JWZLANUHRXGDET-MDASCCDHSA-N- Molecular formula
- C23H29N5O5
- Average molar mass
- 455.5 g/mol
- Monoisotopic mass
- 455.21686904
Overview
tetradecapeptide related to dermorphin; structure given in first source; delta-Phe is 1,2-unsturated analog of phenylalanine
Names & identifiers
- Preferred name
- Tyrosyl-alanyl-delta-phenylalanyl-glycinamide
- IUPAC
- (2S)-2-amino-N-[(2R)-1-[[(2R)-1-[(2-amino-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)propanamide
- English name
- (2S)-2-amino-N-[(1R)-1-[[(1R)-1-(carbamoylmethylcarbamoyl)-2-phenyl-et hyl]carbamoyl]ethyl]-3-(4-hydroxyphenyl)propanamide
- Molecular formula
- C23H29N5O5
- Molecular weight
- 455.51
Names & synonyms
TA-delta-Phe-gnh2Tyr-ala-delta-phe-glynh2Tyrosyl-alanyl-delta-phenylalanyl-glycinamide97992-01-3DTXSID60243355RefChem:192712DTXCID60165846L-Tyrosyl-D-alanyl-D-phenylalanylglycinamideGlycinamide, L-tyrosyl-D-alanyl-D-phenylalanyl- (9CI)(2S)-2-amino-N-[(1R)-1-[[(1R)-1-(carbamoylmethylcarbamoyl)-2-phenyl-et hyl]carbamoyl]ethyl]-3-(4-hydroxyphenyl)propanamide(2S)-2-amino-N-[(2R)-1-[[(2R)-1-[(2-amino-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)propanamide
Database identifiers
- CAS
97992-01-3- PubChem CID
- 5487035
- DTXSID
DTXSID60243355
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 177 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 674
Physicochemical properties
- Boiling point
- 920.7 · 920.7±65.0 °C(Predicted)
- Density
- 1.289 · 1.289±0.06 g/cm3(Predicted)
- pka
- 9.97 · 9.97±0.15(Predicted)
- Comptox DTXSID
- 60243355 · DTXSID60243355
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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