Basic information
- Standard SMILES
Cc1cc(O)cc(C)c1C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)C(=O)NC[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1- InChIKey
SGULCLBLWSXRGF-DERQMEARSA-N- Molecular formula
- C36H46N4O7
- Average molar mass
- 646.8 g/mol
- Monoisotopic mass
- 646.33664982
Names & identifiers
- Preferred name
- N-(tert-Butoxycarbonyl)-2,6-dimethyl-L-tyrosyl-N-{(2R)-2-[(benzyloxycarbonyl)amino]-3-phenylpropyl}-D-alaninamide
- IUPAC
- benzyl N-[(2R)-1-[[(2R)-2-[[(2S)-3-(4-hydroxy-2,6-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]amino]-3-phenylpropan-2-yl]carbamate
Names & synonyms
SCHEMBL14603842SGULCLBLWSXRGF-DERQMEARSA-NN-(tert-Butoxycarbonyl)-2,6-dimethyl-L-tyrosyl-N-{(2R)-2-[(benzyloxycarbonyl)amino]-3-phenylpropyl}-D-alaninamide
Database identifiers
- PubChem CID
- 71212286
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 155 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 16
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 994
Related reactions
2 records
Compound notes
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