5-{2-[(Tert-butoxycarbonyl-methyl-amino)-methyl]-phenylsulfanyl}-indole-1-carboxylic acid tert-butyl ester

HCID 67018446
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Basic information

Standard SMILES
CN(Cc1ccccc1Sc1ccc2c(ccn2C(=O)OC(C)(C)C)c1)C(=O)OC(C)(C)C
InChIKey
XMCVLGRBPFEYRN-UHFFFAOYSA-N
Molecular formula
C26H32N2O4S
Average molar mass
468.6 g/mol

Names & identifiers

Preferred name
5-{2-[(Tert-butoxycarbonyl-methyl-amino)-methyl]-phenylsulfanyl}-indole-1-carboxylic acid tert-butyl ester
IUPAC
tert-butyl 5-[2-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]sulfanylindole-1-carboxylate

Names & synonyms

SCHEMBL1399429XMCVLGRBPFEYRN-UHFFFAOYSA-N5-{2-[(tert-butoxycarbonyl-methyl-amino)-methyl]-phenylsulfanyl}-indole-1-carboxylic acid tert-butyl ester

Database identifiers

PubChem CID
67018446

Properties

Computed structural properties

XLogP
6
Topological polar surface area
86.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
8
Heavy atoms
33

Related reactions

9 records
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Linked notes

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