4[N-[N-(3-Nitrophenylacetyl)-L-alaninyl]-(S)-2-amino-3-tert-butoxybutyryl]morpholine

HCID 69622795

Basic information

Standard SMILES
CC(OC(C)(C)C)[C@H](NC(=O)[C@H](C)NC(=O)Cc1cccc([N+](=O)[O-])c1)C(=O)N1CCOCC1
InChIKey
VIORQHOQKHQBFD-HWYGMYFGSA-N
Molecular formula
C23H34N4O7
Average molar mass
478.5 g/mol
Monoisotopic mass
478.24274944

Names & identifiers

Preferred name
4[N-[N-(3-Nitrophenylacetyl)-L-alaninyl]-(S)-2-amino-3-tert-butoxybutyryl]morpholine
IUPAC
(2S)-N-[(2S)-3-[(2-methylpropan-2-yl)oxy]-1-morpholin-4-yl-1-oxobutan-2-yl]-2-[[2-(3-nitrophenyl)acetyl]amino]propanamide

Names & synonyms

SCHEMBL5966843VIORQHOQKHQBFD-HWYGMYFGSA-N4-[N-[N-(3-Nitrophenylacetyl)-L-alaninyl]-(S)-2-amino-3-tert-butoxybutyryl]morpholine4[N-[N-(3-Nitrophenylacetyl)-L-alaninyl]-(S)-2-amino-3-tert-butoxybutyryl]morpholine

Database identifiers

PubChem CID
69622795

Properties

Computed structural properties

XLogP
1.2
Topological polar surface area
143 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
9
Heavy atoms
34

Related reactions

6 records

Compound notes

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