5-S-cysteinyl-glycyl-dopa
Basic information
- CAS
110823-49-9- Standard SMILES
N[C@@H](Cc1cc(O)c(O)c(SC[C@H](N)C(=O)NCC(=O)O)c1)C(=O)O- InChIKey
BEKGUNWQTPPXTG-YUMQZZPRSA-N- Molecular formula
- C14H19N3O7S
- Average molar mass
- 373.38 g/mol
- Monoisotopic mass
- 373.09437113
Overview
natural substrate for serum & melanocyte dipeptidase
Names & identifiers
- Preferred name
- 5-S-cysteinyl-glycyl-dopa
- IUPAC
- (2S)-2-amino-3-[3-[(2R)-2-amino-3-(carboxymethylamino)-3-oxopropyl]sulfanyl-4,5-dihydroxyphenyl]propanoic acid
- English name
- 5-S-cysteinyl-glycyl-dopa
- Molecular formula
- C14H19N3O7S
- Molecular weight
- 373.38
Names & synonyms
5-S-Cysteinyl-glycyldopa5-S-Cysteinyl-glycyl-dopa5-S-Cysteinyl-glycine-dopa110823-49-9RefChem:103431DTXSID409118683-({(2R)-2-Amino-3-[(carboxymethyl)imino]-3-hydroxypropyl}sulfanyl)-5-hydroxy-L-tyrosine3-({2-Amino-3-[(carboxymethyl)imino]-3-hydroxypropyl}sulfanyl)-5-hydroxytyrosineGlycine, S-[5-[(2S)-2-amino-2-carboxyethyl]-2,3-dihydroxyphenyl]-L-cysteinyl- (9CI)
Database identifiers
- CAS
110823-49-9- PubChem CID
- 196640
- DTXSID
DTXSID40911868
Properties
Computed structural properties
- XLogP
- -5.9
- Topological polar surface area
- 222 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 9
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 493
Physicochemical properties
- Boiling point
- 746.3 · 746.3±60.0 °C(Predicted)
- Density
- 1.61 · 1.61±0.1 g/cm3(Predicted)
- pka
- 2.21 · 2.21±0.30(Predicted)
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Related reactions
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Compound notes
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