chempirical

Boc-D-tyr(bzl)-oh

C21H25NO5CAS 63769-58-4371.43 g/mol

Open in Covalent MOL file
OONHOOHO
CarbamateCarboxylic acidEther

Properties

Molecular formula
C21H25NO5
Molar mass
371.43 g/mol
Exact mass
371.1733 Da
logP
3.79Crippen estimate
Polar surface area
84.9 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
7
Stereocentres
Rin 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
63769-58-4
SMILES
CC(C)(C)OC(=O)N[C@H](CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)O
InChIKey
ZAVSPTOJKOFMTA-GOSISDBHSA-N
InChI
InChI=1S/C21H25NO5/c1-21(2,3)27-20(25)22-18(19(23)24)13-15-9-11-17(12-10-15)26-14-16-7-5-4-6-8-16/h4-12,18H,13-14H2,1-3H3,(H,22,25)(H,23,24)/t18-/m1/s1

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Work with Boc-D-tyr(bzl)-oh

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.

O-Benzyl-N-((tert-butoxy)carbonyl)-L-tyrosine2130-96-3Enantiomer

Similar compounds

Boc-dl-phe-oh4530-18-181 % similar Boc-D-4,4'-biphenylalanine128779-47-575 % similar Boc-L-4,4'-biphenylalanine147923-08-875 % similar Z-Tyr(bzl)-oh16677-29-575 % similar (2S)-2-[(2-Methylpropan-2-yl)oxycarbonylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid47375-34-873 % similar Boc-O-methyl-L-tyrosine53267-93-972 % similar Boc-D-tyr(me)-oh68856-96-272 % similar Boc-D-bpa-oh117666-94-171 % similar

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

Same formula

Boc-tyr-obzl19391-35-6 O-(1,1-Dimethylethyl)-N-[(phenylmethoxy)carbonyl]-L-tyrosine5545-54-0

Elsewhere

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