3-Cyano-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-D-phenylalanine

C₂₅H₂₀N₂O₄CAS 205526-37-0412.45 g/mol

Open in Covalent MOL file

Carboxylic acid Nitrile

Properties

Molecular formula: C₂₅H₂₀N₂O₄
Molar mass: 412.45 g/mol
Exact mass: 412.1423 Da
logP: 4.30Crippen estimate
Polar surface area: 102.9 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 6
Stereocentres: Rin SMILES atom order

Identifiers

CAS number

205526-37-0

SMILES

N#Cc1cccc(C[C@@H](N=C(O)OCC2c3ccccc3-c3ccccc32)C(=O)O)c1

InChIKey

CVLOUTPKZUJTGV-HSZRJFAPSA-N

InChI

InChI=1S/C25H20N2O4/c26-14-17-7-5-6-16(12-17)13-23(24(28)29)27-25(30)31-15-22-20-10-3-1-8-18(20)19-9-2-4-11-21(19)22/h1-12,22-23H,13,15H2,(H,27,30)(H,28,29)/t23-/m1/s1

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Names and synonyms

1 names

D-Phenylalanine, 3-cyano-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-

Work with 3-Cyano-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

N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-3-fluoro-D-phenylalanine198545-72-175 % similar Fmoc-L-phenylalanine35661-40-675 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-3-methyl-L-phenylalanine211637-74-073 % similar 3-Bromo-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-phenylalanine220497-48-373 % similar 3,4-Dichloro-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-D-phenylalanine177966-58-472 % similar 3,4-Dichloro-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-phenylalanine177966-59-572 % similar (βS)-3-Cyano-β-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]benzenebutanoic acid270065-87-771 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-3-(trifluoromethyl)-D-phenylalanine205526-28-970 % similar

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

Same formula

Fmoc-phe(4-CN)-OH173963-93-4 4-Cyano-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-D-phenylalanine205526-34-7

Elsewhere

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