2-(19-tert-Butoxycarbonylnonadecanoylamino)pentanedioic acid 1-tert-butyl ester 5-(2,5-dioxopyrrolidin-1-yl)ester

HCID 86644530

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

Related reactions

6 records

Compound notes

Loading…