(R)-3-[{N-(2-(tert-butoxycarbonylamino)-5-trifluoromethylbenzoyl)glycyl}amino]-1-(4,5-methylenedioxy-2-nitrobenzyl)pyrrolidine

HCID 69212304
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Basic information

Standard SMILES
CC(C)(C)OC(=O)Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2cc3c(cc2[N+](=O)[O-])OCO3)C1
InChIKey
LFQCJLDTGCWIIH-QGZVFWFLSA-N
Molecular formula
C27H30F3N5O8
Average molar mass
609.6 g/mol
Monoisotopic mass
609.20464742

Names & identifiers

Preferred name
(R)-3-[{N-(2-(tert-butoxycarbonylamino)-5-trifluoromethylbenzoyl)glycyl}amino]-1-(4,5-methylenedioxy-2-nitrobenzyl)pyrrolidine
IUPAC
tert-butyl N-[2-[[2-[[(3R)-1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]carbamoyl]-4-(trifluoromethyl)phenyl]carbamate

Names & synonyms

(R)-3-[{N-(2-(tert-butoxycarbonylamino)-5-trifluoromethylbenzoyl)glycyl}amino]-1-(4,5-methylenedioxy-2-nitrobenzyl)pyrrolidineSCHEMBL4840407

Database identifiers

PubChem CID
69212304

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
164 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
12
Rotatable bonds
9
Heavy atoms
43

Related reactions

6 records
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Linked notes

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