1-(Triphenylmethyl)-L-histidine

C₂₅H₂₃N₃O₂CAS 35146-32-8397.48 g/mol

Open in Covalent MOL file

Carboxylic acid Primary 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 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 7
Stereocentres: Sin SMILES atom order

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

2 names

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

Work with 1-(Triphenylmethyl)-L-histidine

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-[(9H-Fluoren-9-ylmethoxy)carbonyl]-1-(triphenylmethyl)-L-histidine109425-51-654 % similar Phenylalanine63-91-250 % similar D-Phenylalanine673-06-350 % similar S-Trityl-L-cysteine2799-07-747 % similar L-4-Thiazolylalanine119433-80-645 % similar D-4-Thiazolylalanine131896-42-945 % similar N-(Triphenylmethyl)-L-asparagine132388-58-044 % 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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