Tyrosyl-alanyl-glycine
Basic information
- CAS
69537-64-0- Standard SMILES
C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)O- InChIKey
DLZKEQQWXODGGZ-KCJUWKMLSA-N- Molecular formula
- C14H19N3O5
- Average molar mass
- 309.32 g/mol
- Monoisotopic mass
- 309.13247072
Overview
RN given refers to unlabeled (L-Tyr-D-Ala)-isomer
Names & identifiers
- Preferred name
- Tyrosyl-alanyl-glycine
- IUPAC
- 2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetic acid
- English name
- H-Tyr-D-Ala-Gly-OH
- Molecular formula
- C14H19N3O5
- Molecular weight
- 309.32
Names & synonyms
69537-64-0Tyrosyl-alanyl-glycineTag peptideDTXSID20219793RefChem:192713DTXCID70142284H-TYR-D-ALA-GLY-OH2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetic acidCHEMBL190254L-Tyrosyl-D-alanylglycineSCHEMBL97240572-((R)-2-((S)-2-Amino-3-(4-hydroxyphenyl)Propanamido)Propanamido)acetic acid
Show more names
tyr-D-ala-glyTyrosyl-D-alanyl-glycineL-tyrosyl-D-alanyl-glycinetyrosine-D-alanine-glycineGlycine, L-tyrosyl-D-alanyl-
BDBM50169185MFCD00038703Glycine, N-(N-L-tyrosyl-D-alanyl)-FT109465i{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-propionylamino}-acetic acid
Database identifiers
- CAS
69537-64-0- PubChem CID
- 5486959
- DTXSID
DTXSID20219793- ChEMBL
CHEMBL190254- Nikkaji
- J2.191.438J
Properties
Computed structural properties
- XLogP
- -3.6
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 407
Physicochemical properties
- Boiling point
- 724.6 · 724.6±60.0 °C(Predicted)
- Density
- 1.341 · 1.341±0.06 g/cm3(Predicted)
- storage temp.
- -15 °C · -15°C
- pka
- 3.31 · 3.31±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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