chempirical

(αR)-α-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino][1,1′-biphenyl]-4-propanoic acid

C30H25NO4CAS 205526-38-1463.53 g/mol

Open in Covalent MOL file
OOHNHOO
Carboxylic 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

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

4 names
  • [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 (αR)-α-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino][1,1′-biphenyl]-4-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

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 N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-4-iodo-D-phenylalanine205526-29-079 % similar 4-Cyano-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-D-phenylalanine205526-34-778 % similar O-Ethyl-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-D-tyrosine162502-65-074 % similar 3,4-Dichloro-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-D-phenylalanine177966-58-473 % similar 3,4-Dichloro-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-phenylalanine177966-59-573 % similar

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

Elsewhere

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