(2S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(2-nitrophenyl)propanoic acid

C₂₄H₂₀N₂O₆CAS 210282-30-7432.43 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: Sin SMILES atom order

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

210282-30-7

SMILES

C1=CC=C(C(=C1)C[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)[N+](=O)[O-]

InChIKey

KVLRWXBYPKSBFY-NRFANRHFSA-N

InChI

InChI=1S/C24H20N2O6/c27-23(28)21(13-15-7-1-6-12-22(15)26(30)31)25-24(29)32-14-20-18-10-4-2-8-16(18)17-9-3-5-11-19(17)20/h1-12,20-21H,13-14H2,(H,25,29)(H,27,28)/t21-/m0/s1

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Names and synonyms

1 names

Fmoc-L-2-nitrophenylalanine

Work with (2S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(2-nitrophenyl)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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(2-nitrophenyl)propanoic acid478183-70-9Enantiomer

Similar compounds

Fmoc-3-nitro-L-tyrosine136590-09-575 % similar Fmoc-L-2-chlorophe198560-41-769 % similar Fmoc-2-chloro-D-phenylalanine205526-22-369 % similar Fmoc-L-2-bromophenylalanine220497-47-269 % similar Fmoc-D-2-bromophenylalanine220497-79-069 % similar Boc-L-2-nitrophenylalanine185146-84-368 % similar Boc-2-nitro-D-phenylalanine478183-69-668 % similar Fmoc-L-2-methylphe211637-75-168 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Fmoc-4-nitro-D-phenylalanine177966-63-1 Fmoc-L-3-nitrophenylalanine206060-42-6 N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-3-nitro-D-phenylalanine478183-71-0 Fmoc-4-nitro-L-phenylalanine95753-55-2

Elsewhere

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