Fmoc-L-beta-homophenylalanine

C25H23NO4CAS 193954-28-8401.46 g/mol

Open in Covalent MOL file
OHONHOO
CarbamateCarboxylic acid

Properties

Molecular formula
C25H23NO4
Molar mass
401.46 g/mol
Exact mass
401.1627 Da
logP
4.61Crippen estimate
Polar surface area
75.6 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
7
Stereocentres
Sin 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
193954-28-8
SMILES
C1=CC=C(C=C1)C[C@@H](CC(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChIKey
DQNUGHJJKNFCND-SFHVURJKSA-N
InChI
InChI=1S/C25H23NO4/c27-24(28)15-18(14-17-8-2-1-3-9-17)26-25(29)30-16-23-21-12-6-4-10-19(21)20-11-5-7-13-22(20)23/h1-13,18,23H,14-16H2,(H,26,29)(H,27,28)/t18-/m0/s1

Weigh it out

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

Names and synonyms

1 names
  • (3S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-phenylbutanoic acid

Work with Fmoc-L-beta-homophenylalanine

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.

(βR)-β-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]benzenebutanoic acid209252-16-4Enantiomer

Similar compounds

Fmoc-(R)-3-amino-4-(4-methyl-phenyl)-butyric acid269398-86-984 % similar Fmoc-(S)-3-amino-4-(4-fluoro-phenyl)-butyric acid270062-83-484 % similar Fmoc-(S)-3-amino-4-(4-chloro-phenyl)-butyric acid270596-43-584 % similar Fmoc-(S)-3-amino-5-phenylpentanoic acid219967-74-581 % similar Fmoc-(R)-3-amino-4-(2-naphthyl)-butyric acid269398-91-679 % similar Fmoc-(S)-3-amino-4-(2-naphthyl)-butyric acid270063-40-679 % similar Fmoc-(S)-3-amino-4-(3-chloro-phenyl)-butyric acid270596-40-279 % similar Fmoc-(S)-3-amino-4-(3-fluoro-phenyl)-butyric acid270596-52-679 % 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-4-methylphe199006-54-7 Fmoc-D-4-methylphe204260-38-8

Elsewhere

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