chempirical

N-Fmoc-N-methyl-3-(2-naphthyl)-L-alanine

C29H25NO4CAS 2138482-09-2451.52 g/mol

Open in Covalent MOL file
NOOHOO
CarbamateCarboxylic acid

Properties

Molecular formula
C29H25NO4
Molar mass
451.52 g/mol
Exact mass
451.1784 Da
logP
5.72Crippen estimate
Polar surface area
66.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
6
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
2138482-09-2
SMILES
CN([C@@H](CC1=CC2=CC=CC=C2C=C1)C(=O)O)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChIKey
OVNHOSZZFGJIPG-MHZLTWQESA-N
InChI
InChI=1S/C29H25NO4/c1-30(27(28(31)32)17-19-14-15-20-8-2-3-9-21(20)16-19)29(33)34-18-26-24-12-6-4-10-22(24)23-11-5-7-13-25(23)26/h2-16,26-27H,17-18H2,1H3,(H,31,32)/t27-/m0/s1

Weigh it out

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

Work with N-Fmoc-N-methyl-3-(2-naphthyl)-L-alanine

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

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

Elsewhere

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