Fmoc-4-nitro-D-phenylalanine

C₂₄H₂₀N₂O₆CAS 177966-63-1432.43 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid Nitro

Properties

Molecular formula: C₂₄H₂₀N₂O₆
Molar mass: 432.43 g/mol
Exact mass: 432.1321 Da
logP: 4.13Crippen estimate
Polar surface area: 118.8 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 7
Stereocentres: Rin SMILES atom order

Identifiers

CAS number

177966-63-1

SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@H](CC4=CC=C(C=C4)[N+](=O)[O-])C(=O)O

InChIKey

RZRRJPNDKJOLHI-JOCHJYFZSA-N

InChI

InChI=1S/C24H20N2O6/c27-23(28)22(13-15-9-11-16(12-10-15)26(30)31)25-24(29)32-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-12,21-22H,13-14H2,(H,25,29)(H,27,28)/t22-/m1/s1

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Names and synonyms

1 names

Fmoc-D-4-nitrophe

Work with Fmoc-4-nitro-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-D-tyr-oh112883-29-173 % similar Fmoc-bpa-oh117666-96-368 % similar Fmoc-D-4-carbamoylphe1217610-39-368 % similar Fmoc-tyr-tyr-oh1269665-49-767 % similar Fmoc-2-nal-oh112883-43-967 % similar (R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-(tert-butoxy)phenyl)propanoic acid118488-18-965 % similar Fmoc-D-ser-oh116861-26-861 % similar Fmoc-L-homophenylalanine132684-59-461 % similar

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

Same formula

N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-3-nitro-L-phenylalanine206060-42-6 N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-3-nitro-D-phenylalanine478183-71-0

Elsewhere

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