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

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-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N-methyl-L-norvaline252049-05-171 % similar N-Alpha-(9-Fluorenylmethyloxycarbonyl)-N-alpha-methyl-O-t-butyl-L-tyrosine133373-24-765 % similar N-(9-Fluorenylmethoxycarbonyl)-L-glutamic acid γ-tert-butyl ester71989-18-964 % similar O-(1,1-Dimethylethyl)-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-N-methyl-L-threonine117106-20-462 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N-methyl-L-alanine84000-07-760 % similar Boc-glu(ofm)-oh123417-18-559 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N-methyl-L-valine84000-11-358 % similar Fmoc-hyp(tbu)-oh122996-47-857 % 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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