Fmoc-D-aspartic acid beta-tert-butyl ester

C₂₃H₂₅NO₆CAS 112883-39-3411.45 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid Ester

Properties

Molecular formula: C₂₃H₂₅NO₆
Molar mass: 411.45 g/mol
Exact mass: 411.1682 Da
logP: 3.71Crippen estimate
Polar surface area: 101.9 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 6
Stereocentres: Rin SMILES atom order

Hazards

Warning

H410 Very toxic to aquatic life with long lasting effects97.4% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P273, P391, P501

Identifiers

CAS number

112883-39-3

SMILES

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

InChIKey

FODJWPHPWBKDON-LJQANCHMSA-N

InChI

InChI=1S/C23H25NO6/c1-23(2,3)30-20(25)12-19(21(26)27)24-22(28)29-13-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,18-19H,12-13H2,1-3H3,(H,24,28)(H,26,27)/t19-/m1/s1

Weigh it out

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

Names and synonyms

2 names

Fmoc-D-asp(otbu)-oh
4-tert-Butyl N-((9H-Fluoren-9-ylmethoxy)carbonyl)-D-aspartate

Work with Fmoc-D-aspartic acid beta-tert-butyl ester

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.

Fmoc-L-asp(OtBu)-OH71989-14-5Enantiomer

Similar compounds

(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-6-(tert-butoxy)-6-oxohexanoic acid159751-47-082 % similar Fmoc-L-Glu(OtBu)-OH monohydrate204251-24-179 % similar Fmoc-asp(ompe)-oh180675-08-579 % similar Boc-glu(ofm)-oh123417-18-577 % similar N-Fmoc-N'-boc-L-2,3-diaminopropionic acid162558-25-076 % similar Fmoc-D-dap(boc)-oh198544-42-276 % similar 9-Fluorenylmethyloxycarbonyl-D-Ser(t-butyl)-OH128107-47-175 % similar Boc-dap(fmoc)-oh122235-70-575 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Boc-asp(ofm)-oh117014-32-1 N-Alpha-tert-Butyloxycarbonylaspartic acid beta-fluorenylmethyl ester129046-87-3 (S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(tert-butoxy)-4-oxobutanoic acid129460-09-9 Fmoc-D-asp-otbu134098-70-7

Elsewhere

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