(E)-3-{1-[4-({[2-(tert-Butyl-dimethyl-silanyloxy)-ethyl]-[2-(1H-indol-3-yl)-ethyl]-amino}-methyl)-benzenesulfonyl]-1H-pyrrol-3-yl}-acrylic acid tert-butyl ester

HCID 66646255

Basic information

Standard SMILES
CC(C)(C)OC(=O)/C=C/c1ccn(S(=O)(=O)c2ccc(CN(CCO[Si](C)(C)C(C)(C)C)CCc3c[nH]c4ccccc34)cc2)c1
InChIKey
RQWQQFCIPBAZHZ-OBGWFSINSA-N
Molecular formula
C36H49N3O5SSi
Average molar mass
663.9 g/mol
Monoisotopic mass
663.31621938

Names & identifiers

Preferred name
(E)-3-{1-[4-({[2-(tert-Butyl-dimethyl-silanyloxy)-ethyl]-[2-(1H-indol-3-yl)-ethyl]-amino}-methyl)-benzenesulfonyl]-1H-pyrrol-3-yl}-acrylic acid tert-butyl ester
IUPAC
tert-butyl (E)-3-[1-[4-[[2-[tert-butyl(dimethyl)silyl]oxyethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]sulfonylpyrrol-3-yl]prop-2-enoate

Names & synonyms

SCHEMBL296351RQWQQFCIPBAZHZ-OBGWFSINSA-N(E)-3-{1-[4-({[2-(tert-Butyl-dimethyl-silanyloxy)-ethyl]-[2(1H-indol-3-yl)-ethyl]-amino}-methyl)-benzenesulfonyl]-1H-pyrrol-3-yl}-acrylic acid tert-butyl ester(E)-3-{1-[4-({[2-(tert-Butyl-dimethyl-silanyloxy)-ethyl]-[2-(1H-indol-3-yl)-ethyl]-amino}-methyl)-benzenesulfonyl]-1H-pyrrol-3-yl}-acrylic acid tert-butyl ester

Database identifiers

PubChem CID
66646255

Properties

Computed structural properties

Topological polar surface area
102 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
16
Heavy atoms
46

Related reactions

5 records

Compound notes

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