chempirical

H-His(trt)-OH

C25H23N3O2CAS 35146-32-8397.48 g/mol

Open in Covalent MOL file
NH2NNOHO
Carboxylic acidPrimary amine

Properties

Molecular formula
C25H23N3O2
Molar mass
397.48 g/mol
Exact mass
397.1790 Da
Melting point
221 °C
logP
3.68Crippen estimate
Polar surface area
81.1 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
7
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
35146-32-8
SMILES
N[C@@H](Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)C(=O)O
InChIKey
BSZQZNOAYQCQFZ-QHCPKHFHSA-N
InChI
InChI=1S/C25H23N3O2/c26-23(24(29)30)16-22-17-28(18-27-22)25(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,17-18,23H,16,26H2,(H,29,30)/t23-/m0/s1

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Names and synonyms

3 names
  • 1-(Triphenylmethyl)-L-histidine
  • L-Histidine, 1-(triphenylmethyl)-
  • (S)-2-Amino-3-(1-trityl-1H-imidazol-4-yl)propanoic acid

Work with H-His(trt)-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

1-Methyl-L-histidine332-80-957 % similar N-Fmoc-N'-trityl-D-histidine135610-90-155 % similar Beta-(2-pyridyl)-dl-alanine17407-39-554 % similar 3-(2-Pyridyl)-L-alanine37535-51-654 % similar 3-(2-Pyridyl)-D-alanine37535-52-754 % similar N-((9H-Fluoren-9-ylmethoxy)carbonyl)-1-(triphenylmethyl)-L-histidine109425-51-654 % similar [1-(Triphenylmethyl)-1H-imidazol-4-yl]methanol33769-07-253 % similar DL-Phenylalanine150-30-150 % similar

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

Same formula

2-(2,4-Dihydroxyphenyl)-4,6-bis(2,4-dimethylphenyl)-1,3,5-triazine1668-53-7

Elsewhere

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