chempirical

(R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-([1,1'-biphenyl]-4-yl)propanoic acid

C30H25NO4CAS 205526-38-1463.53 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
6.09Crippen estimate
Polar surface area
79.1 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
7
Stereocentres
Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
205526-38-1
SMILES
O=C(O)[C@@H](Cc1ccc(-c2ccccc2)cc1)N=C(O)OCC1c2ccccc2-c2ccccc21
InChIKey
VSGACONKQRJFGX-MUUNZHRXSA-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-/m1/s1

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Names and synonyms

5 names
  • (αR)-α-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino][1,1′-biphenyl]-4-propanoic acid
  • [1,1′-Biphenyl]-4-propanoic acid, α-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (αR)-
  • [1,1′-Biphenyl]-4-propanoic acid, α-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (R)-
  • (2R)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)-3-(4-phenylphenyl)propanoic acid
  • (r)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-([1,1′-biphenyl]-4-yl)propanoic acid

Work with (R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-([1,1'-biphenyl]-4-yl)propanoic acid

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-4,4'-biphenylalanine199110-64-0Enantiomer

Similar compounds

Fmoc-L-phenylalanine35661-40-688 % similar 4-Benzoyl-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-D-phenylalanine117666-97-480 % similar N-((9H-Fluoren-9-ylmethoxy)carbonyl)-4-fluoro-D-phenylalanine177966-64-279 % similar Fmoc-D-4-iodophenylalanine205526-29-079 % similar Fmoc-4-cyano-D-phenylalanine205526-34-778 % similar Fmoc-D-tyr(4-et)-OH162502-65-074 % similar Fmoc-3,4-dichloro-D-phenylalanine177966-58-473 % similar Fmoc-3,4-dichloro-L-phenylalanine177966-59-573 % similar

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

Same formula

Fmoc-3,3-diphenyl-L-alanine201484-50-6

Elsewhere

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