Fmoc-D-4-methylphe

C25H23NO4CAS 204260-38-8401.46 g/mol

Open in Covalent MOL file
OOHNHOO
CarbamateCarboxylic acid

Properties

Molecular formula
C25H23NO4
Molar mass
401.46 g/mol
Exact mass
401.1627 Da
logP
4.53Crippen estimate
Polar surface area
75.6 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
6
Stereocentres
Rin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from the 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
204260-38-8
SMILES
CC1=CC=C(C=C1)C[C@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChIKey
UXLHLZHGQPDMJQ-HSZRJFAPSA-N
InChI
InChI=1S/C25H23NO4/c1-16-10-12-17(13-11-16)14-23(24(27)28)26-25(29)30-15-22-20-8-4-2-6-18(20)19-7-3-5-9-21(19)22/h2-13,22-23H,14-15H2,1H3,(H,26,29)(H,27,28)/t23-/m1/s1

Weigh it out

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

Names and synonyms

1 names
  • 4-Methyl-D-phenylalanine, N-FMOC protected

Work with Fmoc-D-4-methylphe

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-4-methylphe199006-54-7Enantiomer

Similar compounds

Fmoc-phe-oh286460-71-782 % similar Fmoc-D-phenylalanine86123-10-682 % similar Fmoc-D-tyr-oh112883-29-180 % similar (2S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-hydroxyphenyl)propanoic acid92954-90-080 % similar (R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(m-tolyl)propanoic acid352351-64-580 % similar Fmoc-L-4,4'-biphenylalanine199110-64-079 % similar Fmoc-D-4-methoxyphe201335-88-878 % similar N-Alpha-(9-Fluorenylmethyloxycarbonyl)-O-methyl-L-tyrosine77128-72-478 % 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 Fmoc-N-methyl-D-phenylalanine138775-05-0 Fmoc-L-beta-homophenylalanine193954-28-8 (βR)-β-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]benzenebutanoic acid209252-16-4

Elsewhere

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