(S)-2-tert-Butoxycarbonylamino-3-(4-hydroxy-3-nitro-phenyl)-propionic acid methyl ester

HCID 15518593

Basic information

Standard SMILES
COC(=O)[C@H](Cc1ccc(O)c([N+](=O)[O-])c1)NC(=O)OC(C)(C)C
InChIKey
NAFOVHMALJGPPY-JTQLQIEISA-N
Molecular formula
C15H20N2O7
Average molar mass
340.33 g/mol

Names & identifiers

Preferred name
(S)-2-tert-Butoxycarbonylamino-3-(4-hydroxy-3-nitro-phenyl)-propionic acid methyl ester
IUPAC
methyl (2S)-3-(4-hydroxy-3-nitrophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Names & synonyms

5191-60-6SCHEMBL1151881SCHEMBL30153769NAFOVHMALJGPPY-JTQLQIEISA-NN-(tert-butoxycarbonyl)-3-nitro-L-tyrosine methyl ester(S)-2-tert-Butoxycarbonylamino-3-(4-hydroxy-3-nitro-phenyl)-propionic acid methyl ester(S)-Methyl 2-((tert-butoxycarbonyl)amino)-3-(4-hydroxy-3-nitrophenyl)propanoate(S)-Methyl2-((tert-butoxycarbonyl)amino)-3-(4-hydroxy-3-nitrophenyl)propanoate

Database identifiers

PubChem CID
15518593
Nikkaji
J2.778.904H

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
131 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
7
Heavy atoms
24

Related reactions

11 records

Linked notes

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