Benzyl (S)-3-amino-4-oxo-4-(4-nitrophenylamino)-butanoate

HCID 67167141
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Basic information

Standard SMILES
N[C@@H](CC(=O)OCc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1
InChIKey
YAKSOGMGTGFLKV-HNNXBMFYSA-N
Molecular formula
C17H17N3O5
Average molar mass
343.33 g/mol
Monoisotopic mass
343.11682065

Names & identifiers

Preferred name
Benzyl (S)-3-amino-4-oxo-4-(4-nitrophenylamino)-butanoate
IUPAC
benzyl (3S)-3-amino-4-(4-nitroanilino)-4-oxobutanoate

Names & synonyms

SCHEMBL1804143YAKSOGMGTGFLKV-HNNXBMFYSA-NBenzyl (S)-3-amino-4-oxo-4-(4-nitrophenylamino)-butanoate

Database identifiers

PubChem CID
67167141
Nikkaji
J1.920.663G

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
127 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
7
Heavy atoms
25

Related reactions

1 records
New reaction record

Compound notes

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