chempirical

Boc-trp(boc)-oh

C21H28N2O6CAS 144599-95-1404.46 g/mol

Open in Covalent MOL file
OONHNOOOOH
CarbamateCarboxylic acid

Properties

Molecular formula
C21H28N2O6
Molar mass
404.46 g/mol
Exact mass
404.1947 Da
logP
3.94Crippen estimate
Polar surface area
106.9 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
4
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
144599-95-1
SMILES
CC(C)(C)OC(=O)N[C@@H](CC1=CN(C2=CC=CC=C21)C(=O)OC(C)(C)C)C(=O)O
InChIKey
FATGZMFSCKUQGO-HNNXBMFYSA-N
InChI
InChI=1S/C21H28N2O6/c1-20(2,3)28-18(26)22-15(17(24)25)11-13-12-23(19(27)29-21(4,5)6)16-10-8-7-9-14(13)16/h7-10,12,15H,11H2,1-6H3,(H,22,26)(H,24,25)/t15-/m0/s1

Weigh it out

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Work with Boc-trp(boc)-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

Similar compounds

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

Elsewhere

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