Fmoc-O-trityl-L-threonine

C₃₈H₃₃NO₅CAS 133180-01-5583.68 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid Ether

Properties

Molecular formula: C₃₈H₃₃NO₅
Molar mass: 583.68 g/mol
Exact mass: 583.2359 Da
logP: 7.38Crippen estimate
Polar surface area: 84.9 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 10
Stereocentres: R, Sin SMILES atom order

Identifiers

CAS number

133180-01-5

SMILES

C[C@H]([C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)OC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

InChIKey

JARBLLDDSTVWSM-IJAHGLKVSA-N

InChI

InChI=1S/C38H33NO5/c1-26(44-38(27-15-5-2-6-16-27,28-17-7-3-8-18-28)29-19-9-4-10-20-29)35(36(40)41)39-37(42)43-25-34-32-23-13-11-21-30(32)31-22-12-14-24-33(31)34/h2-24,26,34-35H,25H2,1H3,(H,39,42)(H,40,41)/t26-,35+/m1/s1

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Names and synonyms

1 names

O-Trityl-L-threonine, N-FMOC protected

Work with Fmoc-O-trityl-L-threonine

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

Same formula

Fmoc-homoser(trt)-oh111061-55-3

Elsewhere

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