Boc-dap(fmoc)-oh

C₂₃H₂₆N₂O₆CAS 122235-70-5426.47 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid

Properties

Molecular formula: C₂₃H₂₆N₂O₆
Molar mass: 426.47 g/mol
Exact mass: 426.1791 Da
logP: 3.50Crippen estimate
Polar surface area: 114.0 Å²
H-bond donors / acceptors: 3 / 5
Rotatable bonds: 6
Stereocentres: Sin SMILES atom order

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

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

Identifiers

CAS number

122235-70-5

SMILES

CC(C)(C)OC(=O)N[C@@H](CNC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)C(=O)O

InChIKey

MVWPBNQGEGBGRF-IBGZPJMESA-N

InChI

InChI=1S/C23H26N2O6/c1-23(2,3)31-22(29)25-19(20(26)27)12-24-21(28)30-13-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,18-19H,12-13H2,1-3H3,(H,24,28)(H,25,29)(H,26,27)/t19-/m0/s1

Weigh it out

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

Names and synonyms

1 names

(2S)-2-(((tert-Butoxy)carbonyl)amino)-3-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)propanoic acid

Work with Boc-dap(fmoc)-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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

N-[(1,1-Dimethylethoxy)carbonyl]-3-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-D-alanine131570-56-4Enantiomer

Similar compounds

Fmoc-dap(fmoc)-oh201473-90-782 % similar Boc-L-2,4-diaminobutyric acid(fmoc)117106-21-581 % similar Boc-orn(fmoc)-oh150828-96-979 % similar Boc-asp(ofm)-oh117014-32-178 % similar N-Boc-N'-fmoc-L-lysine84624-27-177 % similar Fmoc-dab(boc)-oh125238-99-577 % similar Fmoc-D-aspartic acid beta-tert-butyl ester112883-39-375 % similar Fmoc-D-orn(boc)-oh118476-89-474 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

N-Fmoc-N'-boc-L-2,3-diaminopropionic acid162558-25-0 Fmoc-D-dap(boc)-oh198544-42-2 N2-[(1,1-Dimethylethoxy)carbonyl]-N-9H-xanthen-9-yl-L-glutamine55260-24-7

Elsewhere

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