chempirical

Fmoc-N-methyl-D-phenylalanine

C25H23NO4CAS 138775-05-0401.46 g/mol

Open in Covalent MOL file
NOOHOO
CarbamateCarboxylic acid

Properties

Molecular formula
C25H23NO4
Molar mass
401.46 g/mol
Exact mass
401.1627 Da
logP
4.56Crippen estimate
Polar surface area
66.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
6
Stereocentres
Rin SMILES atom order

Identifiers

CAS number
138775-05-0
SMILES
CN([C@H](CC1=CC=CC=C1)C(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChIKey
GBROUWPNYVBLFO-HSZRJFAPSA-N
InChI
InChI=1S/C25H23NO4/c1-26(23(24(27)28)15-17-9-3-2-4-10-17)25(29)30-16-22-20-13-7-5-11-18(20)19-12-6-8-14-21(19)22/h2-14,22-23H,15-16H2,1H3,(H,27,28)/t23-/m1/s1

Weigh it out

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

Work with Fmoc-N-methyl-D-phenylalanine

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-O-t-butyl-L-tyrosine133373-24-777 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N-methyl-L-norvaline252049-05-175 % similar Fmoc-N-methyl-L-leucine103478-62-274 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N-methyl-D-leucine103478-63-374 % similar Fmoc-N-methyl-L-norleucine112883-42-872 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N-methyl-L-alanine84000-07-769 % similar Fmoc-N-methyl-D-valine103478-58-667 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N-methyl-L-valine84000-11-367 % similar

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

Same formula

Fmoc-L-homophenylalanine132684-59-4 Fmoc-alpha-methyl-L-phe135944-05-7 Fmoc-D-homophenylalanine135944-09-1 Fmoc-D-homophenylalanine135994-09-1 (βR)-β-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]benzenebutanoic acid209252-16-4 N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-3-methyl-L-phenylalanine211637-74-0 N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-2-methyl-D-phenylalanine352351-63-4

Elsewhere

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