N-[2-[(Acetylthio)methyl]-3,3,3-trifluoro-1-oxopropyl]-L-tryptophan

HCID 54017298
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Basic information

Standard SMILES
CC(=O)SCC(C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)C(F)(F)F
InChIKey
KWMKYNFNGFZPAG-PYMCNQPYSA-N
Molecular formula
C17H17F3N2O4S
Average molar mass
402.4 g/mol

Names & identifiers

Preferred name
N-[2-[(Acetylthio)methyl]-3,3,3-trifluoro-1-oxopropyl]-L-tryptophan
IUPAC
(2S)-2-[[2-(acetylsulfanylmethyl)-3,3,3-trifluoropropanoyl]amino]-3-(1H-indol-3-yl)propanoic acid

Names & synonyms

N-[2-[(Acetylthio)methyl]-3,3,3-trifluoro-1-oxopropyl]-L-tryptophanSCHEMBL7410932

Database identifiers

PubChem CID
54017298

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
125 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
8
Rotatable bonds
8
Heavy atoms
27

Related reactions

6 records
New reaction record

Linked notes

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