Boc-D-phe-ONp

C20H22N2O6CAS 16159-70-9386.40 g/mol

Open in Covalent MOL file
OOHNOON+OO−
CarbamateEsterNitro

Properties

Molecular formula
C20H22N2O6
Molar mass
386.40 g/mol
Exact mass
386.1478 Da
logP
3.64Crippen estimate
Polar surface area
107.8 Ų
H-bond donors / acceptors
1 / 6
Rotatable bonds
6
Stereocentres
Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
16159-70-9
SMILES
CC(C)(C)OC(=O)N[C@H](CC1=CC=CC=C1)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-]
InChIKey
QZIWWFMMLBBICG-QGZVFWFLSA-N
InChI
InChI=1S/C20H22N2O6/c1-20(2,3)28-19(24)21-17(13-14-7-5-4-6-8-14)18(23)27-16-11-9-15(10-12-16)22(25)26/h4-12,17H,13H2,1-3H3,(H,21,24)/t17-/m1/s1

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Names and synonyms

1 names
  • Boc-D-phenylalanine 4-nitrophenyl ester

Work with Boc-D-phe-ONp

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

N-(tert-Butoxycarbonyl)-L-phenylalanine p-nitrophenyl ester7535-56-0Enantiomer

Similar compounds

Boc-asp(obzl)-onp26048-69-176 % similar Boc-D-4-nitrophe61280-75-965 % similar Boc-phe-ome51987-73-661 % similar Boc-L-3-nitrophenylalanine131980-29-558 % similar Boc-3-Nitro-D-phenylalanine158741-21-058 % similar (S)-3-((tert-Butoxycarbonyl)amino)-4-(4-nitrophenyl)butanoic acid127106-71-258 % similar Boc-(R)-3-amino-4-(4-nitro-phenyl)-butyric acid219297-12-858 % similar Boc-thionophe-1-(6-nitro)benzotriazolide184951-87-958 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(S)-4-Nitrophenyl 2-(((benzyloxy)carbonyl)amino)-4-methylpentanoate1738-87-0

Elsewhere

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