Basic information
- Standard SMILES
CC(C)(C)OC(=O)CCCCCCCCCCCCCCCCCCC(=O)NC(CCC(=O)ON1C(=O)CCC1=O)C(=O)OC(C)(C)C- InChIKey
KGDAFBWUDUETLI-UHFFFAOYSA-N- Molecular formula
- C37H64N2O9
- Average molar mass
- 680.9 g/mol
- Monoisotopic mass
- 680.46118162
Names & identifiers
- Preferred name
- 2-(19-tert-Butoxycarbonylnonadecanoylamino)pentanedioic acid 1-tert-butyl ester 5-(2,5-dioxopyrrolidin-1-yl)ester
- IUPAC
- 1-O-tert-butyl 5-O-(2,5-dioxopyrrolidin-1-yl) 2-[[20-[(2-methylpropan-2-yl)oxy]-20-oxoicosanoyl]amino]pentanedioate
Names & synonyms
SCHEMBL1677088KGDAFBWUDUETLI-UHFFFAOYSA-N2-(19-tert-Butoxycarbonylnonadecanoylamino)pentanedioic acid 1-tert-butyl ester 5-(2,5-dioxopyrrolidin-1-yl) ester2-(19-tert-Butoxycarbonylnonadecanoylamino)pentanedioic acid 1-tert-butyl ester 5-(2,5-dioxopyrrolidin-1-yl)ester
Database identifiers
- PubChem CID
- 86644530
Properties
Computed structural properties
- XLogP
- 8.8
- Topological polar surface area
- 145 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 30
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 997
Related reactions
6 records
Compound notes
Loading…