N-(2-Amino-3-hydroxy-4-methylbenzoyl)threonylvalylproline
Basic information
- CAS
6041-33-4- Standard SMILES
Cc1ccc(C(=O)NC(C(=O)NC(C(=O)N2CCCC2C(=O)O)C(C)C)C(C)O)c(N)c1O- InChIKey
WZFYWDCIMKNSDK-UHFFFAOYSA-N- Molecular formula
- C22H32N4O7
- Average molar mass
- 464.5 g/mol
- Monoisotopic mass
- 464.22709937
Names & identifiers
- Preferred name
- N-(2-Amino-3-hydroxy-4-methylbenzoyl)threonylvalylproline
- IUPAC
- 1-[2-[[2-[(2-amino-3-hydroxy-4-methylbenzoyl)amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carboxylic acid
Names & synonyms
6041-33-4NSC86290DTXSID10329057N-(2-Amino-3-hydroxy-4-methylbenzoyl)threonylvalylprolineNSC-86290
Database identifiers
- CAS
6041-33-4- PubChem CID
- 417076
- DTXSID
DTXSID10329057
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 182 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 746
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Compound notes
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