Basic information
- Standard SMILES
C[C@@H](NC(=O)C(O)C(N)CCCCCCCCl)C(=O)N1CCC[C@@H]1C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)O- InChIKey
XWZAKNSJDTWNRF-WJKUKWHSSA-N- Molecular formula
- C36H50ClN5O9
- Average molar mass
- 732.3 g/mol
- Monoisotopic mass
- 731.3297059
Names & identifiers
- Preferred name
- N-(3-Amino-10-chloro-2-hydroxydecanoyl)-D-alanyl-D-prolyl-D-tyrosyl-D-tyrosine
- IUPAC
- (2R)-2-[[(2R)-2-[[(2R)-1-[(2R)-2-[(3-amino-10-chloro-2-hydroxydecanoyl)amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
Names & synonyms
DTXSID401319535N-(3-Amino-10-chloro-2-hydroxydecanoyl)-D-alanyl-D-prolyl-D-tyrosyl-D-tyrosine
Database identifiers
- PubChem CID
- 155802431
- DTXSID
DTXSID401319535
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 232 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 20
- Heavy atoms
- 51
- Formal charge
- 0
- Complexity
- 1,130
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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