chempirical

4-Benzoyl-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-D-phenylalanine

C31H25NO5CAS 117666-97-4491.54 g/mol

Open in Covalent MOL file
ONHOOOOH
Carboxylic acidKetone

Properties

Molecular formula
C31H25NO5
Molar mass
491.54 g/mol
Exact mass
491.1733 Da
logP
5.66Crippen estimate
Polar surface area
96.2 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
8
Stereocentres
Rin SMILES atom order

Identifiers

CAS number
117666-97-4
SMILES
O=C(c1ccccc1)c1ccc(C[C@@H](N=C(O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1
InChIKey
SYOBJKCXNRQOGA-MUUNZHRXSA-N
InChI
InChI=1S/C31H25NO5/c33-29(21-8-2-1-3-9-21)22-16-14-20(15-17-22)18-28(30(34)35)32-31(36)37-19-27-25-12-6-4-10-23(25)24-11-5-7-13-26(24)27/h1-17,27-28H,18-19H2,(H,32,36)(H,34,35)/t28-/m1/s1

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Names and synonyms

2 names
  • D-Phenylalanine, 4-benzoyl-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-
  • (R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-benzoylphenyl)propanoic acid

Work with 4-Benzoyl-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-D-phenylalanine

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-phenylalanine35661-40-682 % similar (αR)-α-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino][1,1′-biphenyl]-4-propanoic acid205526-38-180 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-4-fluoro-D-phenylalanine177966-64-275 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-4-iodo-D-phenylalanine205526-29-075 % similar 4-Cyano-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-D-phenylalanine205526-34-774 % similar O-Ethyl-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-D-tyrosine162502-65-070 % similar 3,4-Dichloro-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-D-phenylalanine177966-58-469 % similar 3,4-Dichloro-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-phenylalanine177966-59-569 % similar

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

Same formula

Fmoc-bpa-oh117666-96-3

Elsewhere

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