Fmoc-asp(otbu)-opfp

C₂₉H₂₄F₅NO₆CAS 86061-01-0577.50 g/mol

Open in Covalent MOL file

Aryl halide Carbamate Ester

Properties

Molecular formula: C₂₉H₂₄F₅NO₆
Molar mass: 577.50 g/mol
Exact mass: 577.1524 Da
logP: 5.93Crippen estimate
Polar surface area: 90.9 Å²
H-bond donors / acceptors: 1 / 6
Rotatable bonds: 7
Stereocentres: Sin SMILES atom order

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure50% of notifiers
H411 Toxic to aquatic life with long lasting effects50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P273, P280, P302+P352, P319, P321, P332+P317, P362+P364, P391, P501

Identifiers

CAS number

86061-01-0

SMILES

CC(C)(C)OC(=O)C[C@@H](C(=O)OC1=C(C(=C(C(=C1F)F)F)F)F)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

InChIKey

DWYWJUBBXKYAMY-IBGZPJMESA-N

InChI

InChI=1S/C29H24F5NO6/c1-29(2,3)41-20(36)12-19(27(37)40-26-24(33)22(31)21(30)23(32)25(26)34)35-28(38)39-13-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,18-19H,12-13H2,1-3H3,(H,35,38)/t19-/m0/s1

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Work with Fmoc-asp(otbu)-opfp

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-lys(boc)-opfp86060-98-276 % similar Fmoc-asn-opfp86060-99-372 % similar Fmoc-leu-opfp86060-88-068 % similar Fmoc-D-aspartic acid beta-tert-butyl ester112883-39-368 % similar Fmoc-asn(trt)-opfp132388-64-867 % similar Fmoc-phe-opfp86060-92-667 % similar Fmoc-D-ala-opfp125043-04-165 % similar Fmoc-ala-opfp86060-86-865 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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