N-9-Fluorenylmethoxycarbonyl-se-4-methoxybenzylselenocysteine

C₂₆H₂₅NO₅SeCAS 150308-80-8510.46 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid Ether

Properties

Molecular formula: C₂₆H₂₅NO₅Se
Molar mass: 510.46 g/mol
Exact mass: 511.0898 Da
logP: 4.31Crippen estimate
Polar surface area: 84.9 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 9
Stereocentres: Rin SMILES atom order

Identifiers

CAS number

150308-80-8

SMILES

COC1=CC=C(C=C1)C[Se]C[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

InChIKey

XCPAYIZRJRMXBI-DEOSSOPVSA-N

InChI

InChI=1S/C26H25NO5Se/c1-31-18-12-10-17(11-13-18)15-33-16-24(25(28)29)27-26(30)32-14-23-21-8-4-2-6-19(21)20-7-3-5-9-22(20)23/h2-13,23-24H,14-16H2,1H3,(H,27,30)(H,28,29)/t24-/m0/s1

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Type any one amount. The others follow from the molar mass.

Work with N-9-Fluorenylmethoxycarbonyl-se-4-methoxybenzylselenocysteine

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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