Fmoc-his-oh

C₂₁H₁₉N₃O₄CAS 116611-64-4377.40 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid

Properties

Molecular formula: C₂₁H₁₉N₃O₄
Molar mass: 377.40 g/mol
Exact mass: 377.1376 Da
logP: 2.94Crippen estimate
Polar surface area: 104.3 Å²
H-bond donors / acceptors: 3 / 4
Rotatable bonds: 6
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

116611-64-4

SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CC4=CN=CN4)C(=O)O

InChIKey

SIRPVCUJLVXZPW-IBGZPJMESA-N

InChI

InChI=1S/C21H19N3O4/c25-20(26)19(9-13-10-22-12-23-13)24-21(27)28-11-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,10,12,18-19H,9,11H2,(H,22,23)(H,24,27)(H,25,26)/t19-/m0/s1

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Names and synonyms

1 names

FMOC-L-Histidine

Work with Fmoc-his-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

Fmoc-3-(4-pyridyl)-L-alanine169555-95-768 % similar Fmoc-D-4-pyridylalanine205528-30-968 % similar (2S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(pyridin-3-yl)propanoic acid175453-07-368 % similar Fmoc-D-2-pyridylalanine185379-39-964 % similar Fmoc-D-tyr-oh112883-29-164 % similar Fmoc-D-pentafluorophenylalanine198545-85-663 % similar Fmoc-L-2-chlorophe198560-41-763 % similar Fmoc-L-4,4'-biphenylalanine199110-64-063 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook