Boc-tyr-obzl

C₂₁H₂₅NO₅CAS 19391-35-6371.43 g/mol

Open in Covalent MOL file

Carbamate Ester Phenol

Properties

Molecular formula: C₂₁H₂₅NO₅
Molar mass: 371.43 g/mol
Exact mass: 371.1733 Da
logP: 3.57Crippen estimate
Polar surface area: 84.9 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 6
Stereocentres: Sin SMILES atom order

Hazards

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

Identifiers

CAS number

19391-35-6

SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)OCC2=CC=CC=C2

InChIKey

HZDNRJRGRZEVCM-SFHVURJKSA-N

InChI

InChI=1S/C21H25NO5/c1-21(2,3)27-20(25)22-18(13-15-9-11-17(23)12-10-15)19(24)26-14-16-7-5-4-6-8-16/h4-12,18,23H,13-14H2,1-3H3,(H,22,25)/t18-/m0/s1

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Names and synonyms

1 names

(S)-Benzyl 2-((tert-butoxycarbonyl)amino)-3-(4-hydroxyphenyl)propanoate

Work with Boc-tyr-obzl

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

Z-Tyr-obzl5513-40-678 % similar Boc-D-ser-obzl141527-78-872 % similar Boc-tyr-OMe4326-36-772 % similar Boc-D-tyr-ome76757-90-972 % similar N-Boc-3-iodo-L-alanine benzyl ester108957-20-669 % similar Boc-phe-ome51987-73-666 % similar Boc-D-tyr-oh70642-86-366 % similar N-Alpha-t-Butyloxycarbonyl-D-glutamic acid benzyl ester34404-30-366 % similar

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

Same formula

O-Benzyl-N-((tert-butoxy)carbonyl)-L-tyrosine2130-96-3 O-(1,1-Dimethylethyl)-N-[(phenylmethoxy)carbonyl]-L-tyrosine5545-54-0 Boc-D-tyr(bzl)-oh63769-58-4

Elsewhere

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