(αR)-α-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-1-naphthalenepropanoic acid

C28H23NO4CAS 138774-93-3437.50 g/mol

Open in Covalent MOL file
OOHNHOO
Carboxylic acid

Properties

Molecular formula
C28H23NO4
Molar mass
437.50 g/mol
Exact mass
437.1627 Da
logP
5.58Crippen estimate
Polar surface area
79.1 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
6
Stereocentres
Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
138774-93-3
SMILES
O=C(O)[C@@H](Cc1cccc2ccccc12)N=C(O)OCC1c2ccccc2-c2ccccc21
InChIKey
ORWNVJDLEMVDLV-AREMUKBSSA-N
InChI
InChI=1S/C28H23NO4/c30-27(31)26(16-19-10-7-9-18-8-1-2-11-20(18)19)29-28(32)33-17-25-23-14-5-3-12-21(23)22-13-4-6-15-24(22)25/h1-15,25-26H,16-17H2,(H,29,32)(H,30,31)/t26-/m1/s1

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Names and synonyms

4 names
  • 1-Naphthalenepropanoic acid, α-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (αR)-
  • 1-Naphthalenepropanoic acid, α-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (R)-
  • (r)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)-3-naphthalen-1-yl-propionic acid
  • Fmoc-3-(1-naphthyl)-D-alanine

Work with (αR)-α-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-1-naphthalenepropanoic 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.

(αS)-α-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-1-naphthalenepropanoic acid96402-49-2Enantiomer

Similar compounds

N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-2-fluoro-L-phenylalanine205526-26-775 % similar Fmoc-2-methyl-D-phenylalanine352351-63-475 % similar (αS)-α-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]benzo[b]thiophene-3-propanoic acid177966-60-872 % similar (αR)-α-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]benzo[b]thiophene-3-propanoic acid177966-61-972 % similar Fmoc-L-tryptophan35737-15-672 % similar Fmoc-L-phenylalanine35661-40-672 % similar Fmoc-4-cyano-D-phenylalanine205526-34-767 % similar (R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-([1,1'-biphenyl]-4-yl)propanoic acid205526-38-167 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Fmoc-2-nal-oh112883-43-9 Fmoc-3-(2-naphthyl)-D-alanine138774-94-4

Elsewhere

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