N-(tert-Butoxycarbonyl)-2,6-dimethyl-L-tyrosyl-N-{(2R)-2-amino-3-phenylpropyl}-D-alaninamide

HCID 71229909
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Basic information

Standard SMILES
Cc1cc(O)cc(C)c1C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)C(=O)NC[C@H](N)Cc1ccccc1
InChIKey
ZMWDJLKQWNYJOO-ZYKOEDHHSA-N
Molecular formula
C28H40N4O5
Average molar mass
512.6 g/mol

Names & identifiers

Preferred name
N-(tert-Butoxycarbonyl)-2,6-dimethyl-L-tyrosyl-N-{(2R)-2-amino-3-phenylpropyl}-D-alaninamide
IUPAC
tert-butyl N-[(2S)-1-[[(2R)-1-[[(2R)-2-amino-3-phenylpropyl]amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxy-2,6-dimethylphenyl)-1-oxopropan-2-yl]carbamate

Names & synonyms

SCHEMBL14644024ZMWDJLKQWNYJOO-ZYKOEDHHSA-NN-(tert-Butoxycarbonyl)-2,6-dimethyl-L-tyrosyl-N-{(2R)-2-amino-3-phenylpropyl}-D-alaninamide

Database identifiers

PubChem CID
71229909

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
143 Ų
Hydrogen bond donors
5
Hydrogen bond acceptors
6
Rotatable bonds
12
Heavy atoms
37

Related reactions

2 records
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Compound notes

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