2-Aza-bicyclo[2.2.1]heptane-2,3-dicarboxylic acid 3-(2-{9-[2-(1-tert-butoxycarbonyl-pyrrolidine-2-carbonyloxy)-acetyl]-5,7-dihydro-dibenzo[c,e]oxepin-3-yl}-2-oxo-ethyl) ester 2-tert-butyl ester

HCID 66619982

Basic information

Standard SMILES
CC(C)(C)OC(=O)N1CCCC1C(=O)OCC(=O)c1ccc2c(c1)COCc1cc(C(=O)COC(=O)C3C4CCC(C4)N3C(=O)OC(C)(C)C)ccc1-2
InChIKey
QDYOQINVLZGCJD-UHFFFAOYSA-N
Molecular formula
C40H48N2O11
Average molar mass
732.8 g/mol

Names & identifiers

Preferred name
2-Aza-bicyclo[2.2.1]heptane-2,3-dicarboxylic acid 3-(2-{9-[2-(1-tert-butoxycarbonyl-pyrrolidine-2-carbonyloxy)-acetyl]-5,7-dihydro-dibenzo[c,e]oxepin-3-yl}-2-oxo-ethyl) ester 2-tert-butyl ester
IUPAC
2-O-tert-butyl 3-O-[2-[9-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]oxyacetyl]-5,7-dihydrobenzo[d][2]benzoxepin-3-yl]-2-oxoethyl] 2-azabicyclo[2.2.1]heptane-2,3-dicarboxylate

Names & synonyms

SCHEMBL202883QDYOQINVLZGCJD-UHFFFAOYSA-N2-aza-bicyclo[2.2.1]heptane-2,3-dicarboxylic acid 3-(2-{9-[2-(1-tert-butoxycarbonyl-pyrrolidine-2-carbonyloxy)-acetyl]-5,7-dihydro-dibenzo[c,e]oxepin-3-yl}-2-oxo-ethyl) ester 2-tert-butyl ester2-aza-bicyclo[2.2.1]heptane-2,3-dicarboxylic acid 3-(2-{9-[2-(1-tert-butoxycarbonyl-pyrrolidine-2-carbonyloxy)-acetyl]-5,7-dihydro-dibenzo[c,e]oxepin-3-yl}-2-oxo-ethyl)ester 2-tert-butyl ester

Database identifiers

PubChem CID
66619982

Properties

Computed structural properties

XLogP
5.3
Topological polar surface area
155 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
11
Rotatable bonds
14
Heavy atoms
53

Related reactions

6 records

Compound notes

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