Methyl Nalpha-[3-(4-Acetoxyphenyl)acryloyl]-L-Tryptophanate

HCID 86655439
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Basic information

Standard SMILES
COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C=Cc1ccc(OC(C)=O)cc1
InChIKey
BUKQIBCZFBCWSB-NRFANRHFSA-N
Molecular formula
C23H22N2O5
Average molar mass
406.4 g/mol
Monoisotopic mass
406.15287181

Names & identifiers

Preferred name
Methyl Nalpha-[3-(4-Acetoxyphenyl)acryloyl]-L-Tryptophanate
IUPAC
methyl (2S)-2-[3-(4-acetyloxyphenyl)prop-2-enoylamino]-3-(1H-indol-3-yl)propanoate

Names & synonyms

BUKQIBCZFBCWSB-NRFANRHFSA-NMethyl Nalpha-[3-(4-Acetoxyphenyl)acryloyl]-L-Tryptophanate

Database identifiers

PubChem CID
86655439

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
97.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
9
Heavy atoms
30

Related reactions

2 records
New reaction record

Compound notes

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