Fmoc-N-methyl-L-glutamic acid 5-tert-butyl ester

C₂₅H₂₉NO₆CAS 200616-40-6439.51 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid Ester

Properties

Molecular formula: C₂₅H₂₉NO₆
Molar mass: 439.51 g/mol
Exact mass: 439.1995 Da
logP: 4.44Crippen estimate
Polar surface area: 93.1 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 7
Stereocentres: Sin SMILES atom order

Hazards

Warning

H400 Very toxic to aquatic life100% of notifiers
H410 Very toxic to aquatic life with long lasting effects100% of notifiers

Aggregated from 38 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P273, P391, P501

Identifiers

CAS number

200616-40-6

SMILES

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

InChIKey

FVUASVBQADLDRO-NRFANRHFSA-N

InChI

InChI=1S/C25H29NO6/c1-25(2,3)32-22(27)14-13-21(23(28)29)26(4)24(30)31-15-20-18-11-7-5-9-16(18)17-10-6-8-12-19(17)20/h5-12,20-21H,13-15H2,1-4H3,(H,28,29)/t21-/m0/s1

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Names and synonyms

1 names

Fmoc-N-me-glu(OtBu)-OH

Work with Fmoc-N-methyl-L-glutamic acid 5-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

Similar compounds

N-Alpha-(9-Fluorenylmethyloxycarbonyl)-N-alpha-methyl-L-aspartic acid beta-t-butyl ester152548-66-883 % similar N-Fmoc-N-methyl-O-tert-butyl-L-serine197632-77-273 % similar Fmoc-N-me-D-orn(boc)-OH2044710-64-571 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N-methyl-L-norvaline252049-05-171 % similar (R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)(methyl)amino)-6-((tert-butoxycarbonyl)amino)hexanoic acid1793105-27-770 % similar Fmoc-N-me-lys(boc)-oh197632-76-170 % similar Fmoc-N-methyl-L-norleucine112883-42-868 % similar Fmoc-N-me-gln(trt)-oh1632075-13-867 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-6-(tert-butoxy)-6-oxohexanoic acid159751-47-0 Fmoc-asp(ompe)-oh180675-08-5 Fmoc-beta-Hoglu(Otbu)-OH203854-49-3

Elsewhere

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