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

Hazards

Danger

H301+H331 Toxic if swallowed or if inhaled100% of notifiers
H301 Toxic if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H331 Toxic if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure100% of notifiers
H400 Very toxic to aquatic life100% of notifiers
H410 Very toxic to aquatic life with long lasting effects100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P316, P319, P321, P330, P332+P317, P362+P364, P391, P403+P233, P405, P501

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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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

Fmoc-D-4-methoxyphe201335-88-878 % similar N-Alpha-(9-Fluorenylmethyloxycarbonyl)-O-methyl-L-tyrosine77128-72-478 % similar N-Fmoc-S-(4-methoxybenzyl)-L-cysteine141892-41-371 % similar Fmoc-S-4-methoxytrityl-L-cysteine177582-21-764 % similar (2S)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)butanoic acid135112-27-561 % similar Fmoc-D-abu-oh170642-27-061 % similar (R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-(tert-butoxy)phenyl)propanoic acid118488-18-961 % similar Fmoc-L-4-methylphe199006-54-760 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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