Basic information
- Standard SMILES
COc1ccc(CSC(CCCCN2C(=O)c3ccccc3C2=O)C(=O)NC2Cc3ccccc3CN(C(CC(C)C)C(=O)OC(C)(C)C)C2=O)cc1- InChIKey
HAVZGXAOJVMHBV-UHFFFAOYSA-N- Molecular formula
- C42H51N3O7S
- Average molar mass
- 741.9 g/mol
Names & identifiers
- Preferred name
- 2-(4-(2-(p-Methoxybenzylthio)-6-phthalimidohexanoyl-amino)-3-oxo-1,3,4,5-tetrahydro-benzo[c]azepin-2-yl)-4-methyl-valeric acid t-butyl ester
- IUPAC
- tert-butyl 2-[4-[[6-(1,3-dioxoisoindol-2-yl)-2-[(4-methoxyphenyl)methylsulfanyl]hexanoyl]amino]-3-oxo-4,5-dihydro-1H-2-benzazepin-2-yl]-4-methylpentanoate
Names & synonyms
SCHEMBL7163029HAVZGXAOJVMHBV-UHFFFAOYSA-N2-(4-(2-(p-methoxybenzylthio)-6-phthalimidohexanoyl-amino)-3-oxo-1,3,4,5-tetrahydro-benzo[c]azepin-2-yl)-4-methyl-valeric acid t-butyl ester
Database identifiers
- PubChem CID
- 53867609
Properties
Computed structural properties
- XLogP
- 7.2
- Topological polar surface area
- 148 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 17
- Heavy atoms
- 53
- Formal charge
- 0
- Complexity
- 1,250
Related reactions
3 records
Compound notes
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