Fmoc-dab(boc)-oh

C₂₄H₂₈N₂O₆CAS 125238-99-5440.50 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid

Properties

Molecular formula: C₂₄H₂₈N₂O₆
Molar mass: 440.50 g/mol
Exact mass: 440.1947 Da
logP: 3.89Crippen estimate
Polar surface area: 114.0 Å²
H-bond donors / acceptors: 3 / 5
Rotatable bonds: 7
Stereocentres: Sin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

125238-99-5

SMILES

CC(C)(C)OC(=O)NCC[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13

InChIKey

LIWKOFAHRLBNMG-FQEVSTJZSA-N

InChI

InChI=1S/C24H28N2O6/c1-24(2,3)32-22(29)25-13-12-20(21(27)28)26-23(30)31-14-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,19-20H,12-14H2,1-3H3,(H,25,29)(H,26,30)(H,27,28)/t20-/m0/s1

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Names and synonyms

1 names

(2S)-4-(((tert-Butoxy)carbonyl)amino)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)butanoic acid

Work with Fmoc-dab(boc)-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-D-orn(boc)-oh118476-89-489 % similar (2R)-6-(((tert-Butoxy)carbonyl)amino)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)hexanoic acid92122-45-788 % similar Boc-orn(fmoc)-oh150828-96-984 % similar N-Boc-N'-fmoc-L-lysine84624-27-182 % similar N-Fmoc-N'-boc-L-2,3-diaminopropionic acid162558-25-082 % similar Fmoc-D-dap(boc)-oh198544-42-282 % similar Boc-dap(fmoc)-oh122235-70-577 % similar Boc-glu(ofm)-oh123417-18-576 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Boc-L-2,4-diaminobutyric acid(fmoc)117106-21-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook