N-[2-(1,1-Dimethylethoxy)-2-oxoethyl]-L-tryptophan 1,1-dimethylethyl ester

HCID 53674071
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Basic information

Standard SMILES
CC(C)(C)OC(=O)CN[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C
InChIKey
BBXHVXZEPAHSCQ-KRWDZBQOSA-N
Molecular formula
C21H30N2O4
Average molar mass
374.5 g/mol

Names & identifiers

Preferred name
N-[2-(1,1-Dimethylethoxy)-2-oxoethyl]-L-tryptophan 1,1-dimethylethyl ester
IUPAC
tert-butyl (2S)-3-(1H-indol-3-yl)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoate

Names & synonyms

SCHEMBL6430686BBXHVXZEPAHSCQ-KRWDZBQOSA-NN-[2-(1,1-Dimethylethoxy)-2-oxoethyl]-L-tryptophan 1,1-dimethylethyl ester

Database identifiers

PubChem CID
53674071

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
80.4 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
10
Heavy atoms
27

Related reactions

3 records
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Compound notes

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