Basic information
- CAS
21026-94-8- Standard SMILES
COC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(OC(=O)c2ccccc2)cc1)NC(=O)[C@@H](NC(=O)c1ccccc1)C(C)C- InChIKey
WBORWVXIEXFBRG-AWCRTANDSA-N- Molecular formula
- C34H37N3O7
- Average molar mass
- 599.7 g/mol
Names & identifiers
- Preferred name
- Bz-Val-Tyr(Bz)-Pro-OMe
- IUPAC
- methyl (2S)-1-[(2S)-2-[[(2S)-2-benzamido-3-methylbutanoyl]amino]-3-(4-benzoyloxyphenyl)propanoyl]pyrrolidine-2-carboxylate
- English name
- N-Benzoyl-L-Val-O-benzoyl-L-Tyr-L-Pro-OMe
- Molecular formula
- C34H37N3O7
- Molecular weight
- 599.67
Names & synonyms
N-Benzoyl-L-Val-O-benzoyl-L-Tyr-L-Pro-OMeProline, 1-[N-(N-benzoyl-L-valyl)-L-tyrosyl]-, methyl ester, benzoate (ester), L- (8CI)
Database identifiers
- CAS
21026-94-8- Nikkaji
- J123.248G
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 13
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 997
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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