Basic information
- CAS
95537-14-7- Standard SMILES
C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccc(N=[N+]=[N-])cc1)C(=O)NCCO.O=C(O)C(F)(F)F- InChIKey
CKXCGKQTDHGSLL-UTUAMNFXSA-N- Molecular formula
- C28H35F3N8O8
- Average molar mass
- 668.6 g/mol
- Monoisotopic mass
- 668.25299459
Overview
affinity label for mu & delta opioid receptors
Names & identifiers
- Preferred name
- tyrosyl-alanyl-glycyl-(4-azidomethylphenylalanyl)-glycine-OH
- IUPAC
- (2S)-2-amino-N-[(2R)-1-[[2-[[(2S)-3-(4-azidophenyl)-1-(2-hydroxyethylamino)-1-oxopropan-2-yl]-methylamino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)propanamide;2,2,2-trifluoroacetic acid
- English name
- tyrosyl-alanyl-glycyl-(4-azidomethylphenylalanyl)-glycine-OH
- Molecular formula
- C28H35F3N8O8
- Molecular weight
- 668.6215096
Names & synonyms
AZ-DamgeTyr-ala-gly-4-azido-mephe-gly-OHTyrosyl-alanyl-glycyl-(4-azidomethylphenylalanyl)-glycine-OH95537-14-7DTXSID90241869L-Phenylalaninamide, L-tyrosyl-D-alanylglycyl-4-azido-N-(2-hydroxyethyl)-nalpha-methyl-, (1alpha,5Z,7E)-RefChem:192714DTXCID70164360L-Phenylalaninamide, L-tyrosyl-D-alanylglycyl-4-azido-N-(2-hydroxyethyl)-Nalpha-methyl-, mono(trifluoroacetate) (salt)Trifluoroacetic acid--L-tyrosyl-D-alanylglycyl-4-azido-N-(2-hydroxyethyl)-Nalpha-methyl-L-phenylalaninamide (1/1)(2S)-2-amino-N-[(2R)-1-[[2-[[(2S)-3-(4-azidophenyl)-1-(2-hydroxyethylamino)-1-oxopropan-2-yl]-methylamino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)propanamide
Database identifiers
- CAS
95537-14-7- PubChem CID
- 5486933
- DTXSID
DTXSID90241869
Properties
Computed structural properties
- Topological polar surface area
- 226 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 14
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 981
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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