(2S)-2-[(2-Methylpropan-2-yl)oxycarbonylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid

C18H27NO5CAS 47375-34-8337.42 g/mol

Open in Covalent MOL file
OOOHHNOO
CarbamateCarboxylic acidEther

Properties

Molecular formula
C18H27NO5
Molar mass
337.42 g/mol
Exact mass
337.1889 Da
logP
3.38Crippen estimate
Polar surface area
84.9 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
5
Stereocentres
Sin SMILES atom order

Hazards

Not classified as hazardous under GHS. Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
47375-34-8
SMILES
CC(C)(C)OC1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)OC(C)(C)C
InChIKey
ZEQLLMOXFVKKCN-AWEZNQCLSA-N
InChI
InChI=1S/C18H27NO5/c1-17(2,3)23-13-9-7-12(8-10-13)11-14(15(20)21)19-16(22)24-18(4,5)6/h7-10,14H,11H2,1-6H3,(H,19,22)(H,20,21)/t14-/m0/s1

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Names and synonyms

1 names
  • Boc-O-tert-butyl-L-tyrosine

Work with (2S)-2-[(2-Methylpropan-2-yl)oxycarbonylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid

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-O-methyl-L-tyrosine53267-93-981 % similar Boc-D-tyr(me)-oh68856-96-281 % similar Boc-D-tyr-oh70642-86-378 % similar Boc-dl-phe-oh4530-18-176 % similar Boc-4-iodo-D-phenylalanine176199-35-275 % similar Boc-L-4-fluorophe41153-30-475 % similar Boc-4-amino-L-phenylalanine55533-24-975 % similar (S)-N-Boc-4-bromophenylalanine62129-39-975 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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