Pyroglutamylasparaginyltryptophan
Basic information
- CAS
7724-45-0- Standard SMILES
NC(=O)C[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O- InChIKey
PEKCKCSKJLOOLM-KKUMJFAQSA-N- Molecular formula
- C20H23N5O6
- Average molar mass
- 429.4 g/mol
- Monoisotopic mass
- 429.16483347
Overview
Pyroglutamylasparaginyltryptophan has been reported in Ovophis okinavensis and Protobothrops flavoviridis with data available.
Names & identifiers
- Preferred name
- Pyroglutamylasparaginyltryptophan
- IUPAC
- (2S)-2-[[(2S)-4-amino-4-oxo-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]butanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
Names & synonyms
1kugCHEMBL36226107724-45-0pyroglutamylasparaginyltryptophanDTXSID00332232BDBM504987755-Oxo-L-prolyl-L-asparaginyl-L-tryptophan
Database identifiers
- CAS
7724-45-0- PubChem CID
- 446808
- DTXSID
DTXSID00332232- ChEMBL
CHEMBL3622610
Properties
Computed structural properties
- XLogP
- -1.7
- Topological polar surface area
- 183 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 744
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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