Fmoc-L-glutamic acid 1-tert-butyl ester

C₂₄H₂₇NO₆CAS 84793-07-7425.48 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid Ester

Properties

Molecular formula: C₂₄H₂₇NO₆
Molar mass: 425.48 g/mol
Exact mass: 425.1838 Da
logP: 4.10Crippen estimate
Polar surface area: 101.9 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 7
Stereocentres: Sin SMILES atom order

Hazards

Warning

H315 Causes skin irritation75% of notifiers
H319 Causes serious eye irritation75% of notifiers
H335 May cause respiratory irritation75% of notifiers

Aggregated from 4 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

84793-07-7

SMILES

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

InChIKey

GOPWHXPXSPIIQZ-FQEVSTJZSA-N

InChI

InChI=1S/C24H27NO6/c1-24(2,3)31-22(28)20(12-13-21(26)27)25-23(29)30-14-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,19-20H,12-14H2,1-3H3,(H,25,29)(H,26,27)/t20-/m0/s1

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

Names and synonyms

1 names

(4S)-5-(tert-Butoxy)-4-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-5-oxopentanoic acid

Work with Fmoc-L-glutamic acid 1-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-D-glu-otbu109745-15-5Enantiomer

Similar compounds

(S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(tert-butoxy)-4-oxobutanoic acid129460-09-982 % similar Fmoc-D-asp-otbu134098-70-782 % similar Nalpha-fmoc-L-serine tert-butyl ester110797-35-873 % similar N-Alpha-tert-Butyloxycarbonylaspartic acid beta-fluorenylmethyl ester129046-87-372 % similar Fmoc-glu-obzl122350-52-171 % similar Z-Glu-otbu5891-45-271 % similar Fmoc-L-glutamic acid121343-82-670 % similar Boc-D-glu-otbu73872-71-667 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Boc-glu(ofm)-oh123417-18-5 N-Alpha-(9-Fluorenylmethyloxycarbonyl)-N-alpha-methyl-L-aspartic acid beta-t-butyl ester152548-66-8 Fmoc-beta-Glu(OtBu)-OH209252-17-5 Fmoc-L-glutamic acid 5-tert-butyl ester71989-18-9

Elsewhere

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