Boc-D-phe-ONp

C₂₀H₂₂N₂O₆CAS 16159-70-9386.40 g/mol

Open in Covalent MOL file

Carbamate Ester Nitro

Properties

Molecular formula: C₂₀H₂₂N₂O₆
Molar mass: 386.40 g/mol
Exact mass: 386.1478 Da
logP: 3.64Crippen estimate
Polar surface area: 107.8 Å²
H-bond donors / acceptors: 1 / 6
Rotatable bonds: 6
Stereocentres: Rin SMILES atom order

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

Similar compounds

Boc-L-3-nitrophenylalanine131980-29-558 % similar (S)-3-((tert-Butoxycarbonyl)amino)-4-(4-nitrophenyl)butanoic acid127106-71-258 % similar N-[(1,1-Dimethylethoxy)carbonyl]-L-alanine 4-nitrophenyl ester2483-49-050 % similar N-[(Phenylmethoxy)carbonyl]-L-phenylalanine 4-nitrophenyl ester2578-84-949 % similar N-Boc-3-iodo-L-alanine benzyl ester108957-20-648 % similar Boc-D-4,4'-biphenylalanine128779-47-548 % similar N2-[(1,1-Dimethylethoxy)carbonyl]-L-asparagine 4-nitrophenyl ester4587-33-147 % similar 2-(4-Nitrophenyl) 1-(phenylmethyl) (2S)-1,2-pyrrolidinedicarboxylate3304-59-446 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

N-[(Phenylmethoxy)carbonyl]-L-leucine 4-nitrophenyl ester1738-87-0 N-(tert-Butoxycarbonyl)-L-phenylalanine P-nitrophenyl ester7535-56-0

Elsewhere

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