methyl N-{(1R)-1-(benzofuran-5-yl)-2-[(2-hydroxyphenyl)amino]-2-oxoethyl}-L-leucinate

HCID 45076859
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Basic information

Standard SMILES
COC(=O)[C@H](CC(C)C)N[C@@H](C(=O)Nc1ccccc1O)c1ccc2occc2c1
InChIKey
MBUXLYWOVGQPQD-GHTZIAJQSA-N
Molecular formula
C23H26N2O5
Average molar mass
410.5 g/mol

Names & identifiers

Preferred name
methyl N-{(1R)-1-(benzofuran-5-yl)-2-[(2-hydroxyphenyl)amino]-2-oxoethyl}-L-leucinate
IUPAC
methyl (2S)-2-[[(1R)-1-(1-benzofuran-5-yl)-2-(2-hydroxyanilino)-2-oxoethyl]amino]-4-methylpentanoate

Names & synonyms

SCHEMBL3929200MBUXLYWOVGQPQD-GHTZIAJQSA-Nmethyl N-{(1R)-1-(benzofuran-5-yl)-2-[(2-hydroxyphenyl)amino]-2-oxoethyl}-L-leucinate

Database identifiers

PubChem CID
45076859

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
101 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
6
Rotatable bonds
9
Heavy atoms
30

Related reactions

6 records
New reaction record

Linked notes

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