chempirical

Fmoc-L-4,4'-biphenylalanine

C30H25NO4CAS 199110-64-0463.53 g/mol

Open in Covalent MOL file
OOHNHOO
CarbamateCarboxylic acid

Properties

Molecular formula
C30H25NO4
Molar mass
463.53 g/mol
Exact mass
463.1784 Da
logP
5.89Crippen estimate
Polar surface area
75.6 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
7
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
199110-64-0
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C[C@@H](C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChIKey
VSGACONKQRJFGX-NDEPHWFRSA-N
InChI
InChI=1S/C30H25NO4/c32-29(33)28(18-20-14-16-22(17-15-20)21-8-2-1-3-9-21)31-30(34)35-19-27-25-12-6-4-10-23(25)24-11-5-7-13-26(24)27/h1-17,27-28H,18-19H2,(H,31,34)(H,32,33)/t28-/m0/s1

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

Work with Fmoc-L-4,4'-biphenylalanine

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

Fmoc-D-tyr-oh112883-29-182 % similar Fmoc-bpa-oh117666-96-379 % similar Fmoc-D-4-chlorophe142994-19-279 % similar Fmoc-L-4-fluorophe169243-86-179 % similar (S)-N-Fmoc-4-chlorophenylalanine175453-08-479 % similar (S)-N-Fmoc-4-bromophenylalanine198561-04-579 % similar Fmoc-L-4-methylphe199006-54-779 % similar Fmoc-D-4-methylphe204260-38-879 % similar

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

Same formula

Fmoc-3,3-diphenyl-L-alanine201484-50-6 (αR)-α-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino][1,1′-biphenyl]-4-propanoic acid205526-38-1

Elsewhere

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