chempirical

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

C28H23NO4CAS 96402-49-2437.50 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
Sin SMILES atom order

Identifiers

CAS number
96402-49-2
SMILES
O=C(O)[C@H](Cc1cccc2ccccc12)N=C(O)OCC1c2ccccc2-c2ccccc21
InChIKey
ORWNVJDLEMVDLV-SANMLTNESA-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-/m0/s1

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Names and synonyms

3 names
  • 1-Naphthalenepropanoic acid, α-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (αS)-
  • 1-Naphthalenepropanoic acid, α-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (S)-
  • (2S)-2-([[(9H-Fluoren-9-yl)methoxy]carbonyl]amino)-3-(naphthalen-1-yl)propanoic acid

Work with (αS)-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

Similar compounds

N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-2-fluoro-L-phenylalanine205526-26-775 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-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 4-Cyano-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-D-phenylalanine205526-34-767 % similar (αR)-α-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino][1,1′-biphenyl]-4-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 (αR)-α-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-1-naphthalenepropanoic acid138774-93-3 Fmoc-3-(2-naphthyl)-D-alanine138774-94-4

Elsewhere

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