chempirical

N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-3-methyl-L-phenylalanine

C25H23NO4CAS 211637-74-0401.46 g/mol

Open in Covalent MOL file
NHOOOOH
Carboxylic acid

Properties

Molecular formula
C25H23NO4
Molar mass
401.46 g/mol
Exact mass
401.1627 Da
logP
4.73Crippen estimate
Polar surface area
79.1 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
6
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
211637-74-0
SMILES
Cc1cccc(C[C@H](N=C(O)OCC2c3ccccc3-c3ccccc32)C(=O)O)c1
InChIKey
NJXPSSISZLAXRE-QHCPKHFHSA-N
InChI
InChI=1S/C25H23NO4/c1-16-7-6-8-17(13-16)14-23(24(27)28)26-25(29)30-15-22-20-11-4-2-9-18(20)19-10-3-5-12-21(19)22/h2-13,22-23H,14-15H2,1H3,(H,26,29)(H,27,28)/t23-/m0/s1

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Names and synonyms

1 names
  • L-Phenylalanine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-3-methyl-

Work with N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-3-methyl-L-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-phenylalanine35661-40-681 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-3-fluoro-D-phenylalanine198545-72-177 % similar 3-Bromo-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-phenylalanine220497-48-376 % similar 3,4-Dichloro-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-D-phenylalanine177966-58-474 % similar 3,4-Dichloro-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-phenylalanine177966-59-574 % similar 3-Cyano-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-D-phenylalanine205526-37-073 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-3-(trifluoromethyl)-D-phenylalanine205526-28-972 % similar (αR)-α-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino][1,1′-biphenyl]-4-propanoic acid205526-38-172 % similar

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

Same formula

Fmoc-L-homophenylalanine132684-59-4 Fmoc-alpha-methyl-L-phe135944-05-7 Fmoc-D-homophenylalanine135944-09-1 Fmoc-D-homophenylalanine135994-09-1 Fmoc-N-methyl-D-phenylalanine138775-05-0 (βR)-β-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]benzenebutanoic acid209252-16-4 N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-2-methyl-D-phenylalanine352351-63-4

Elsewhere

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