Basic information
- Standard SMILES
CNC(=O)[C@@H](Cc1ccccc1)N1C[C@@H](Cc2ccc3ccccc3c2)N(C(=O)/C=C/CC(C)(C)NC(=O)OC(C)(C)C)CC1=O- InChIKey
JJOCBPDYWLAIEJ-YSWQXKSBSA-N- Molecular formula
- C37H46N4O5
- Average molar mass
- 626.8 g/mol
Names & identifiers
- Preferred name
- ((3E)-1,1-dimethyl-5-((2R)-4-((1R)-1-(methylcarbamoyl)-2-phenylethyl)-2-((2-naphthyl)methyl)-5-oxopiperazin-1-yl)-5-oxopent-3-enyl)carbamic acid tert-butyl ester
- IUPAC
- tert-butyl N-[(E)-2-methyl-6-[(2R)-4-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-2-(naphthalen-2-ylmethyl)-5-oxopiperazin-1-yl]-6-oxohex-4-en-2-yl]carbamate
Names & synonyms
SCHEMBL7651282JJOCBPDYWLAIEJ-YSWQXKSBSA-N((3E)-1,1-dimethyl-5-((2R)-4-((1R)-1-(methylcarbamoyl)-2-phenylethyl)-2-((2-naphthyl)methyl)-5-oxopiperazin-1-yl)-5-oxopent-3-enyl)carbamic acid tert-butyl ester
Database identifiers
- PubChem CID
- 59965076
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 12
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 1,090
Related reactions
2 records
Compound notes
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