chempirical

Cbz-3-(2-naphthyl)-D-alanine

C21H19NO4CAS 143218-10-4349.39 g/mol

Open in Covalent MOL file
OONHOHO
CarbamateCarboxylic acid

Properties

Molecular formula
C21H19NO4
Molar mass
349.39 g/mol
Exact mass
349.1314 Da
logP
3.76Crippen estimate
Polar surface area
75.6 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
6
Stereocentres
Rin SMILES atom order

Hazards

Not classified as hazardous under GHS. Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
143218-10-4
SMILES
C1=CC=C(C=C1)COC(=O)N[C@H](CC2=CC3=CC=CC=C3C=C2)C(=O)O
InChIKey
XBRPIBMAJOTVHG-LJQANCHMSA-N
InChI
InChI=1S/C21H19NO4/c23-20(24)19(22-21(25)26-14-15-6-2-1-3-7-15)13-16-10-11-17-8-4-5-9-18(17)12-16/h1-12,19H,13-14H2,(H,22,25)(H,23,24)/t19-/m1/s1

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Names and synonyms

1 names
  • Cbz-D-2-naphthylalanine

Work with Cbz-3-(2-naphthyl)-D-alanine

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

Z-D-Tyr-oh64205-12-573 % similar Z-Tyr(bzl)-oh16677-29-571 % similar (S)-2-(((Benzyloxy)carbonyl)amino)-3-(4-fluorophenyl)propanoic acid17543-58-771 % similar Fmoc-2-nal-oh112883-43-970 % similar Fmoc-3-(2-naphthyl)-D-alanine138774-94-470 % similar Boc-3-(2-naphthyl)-L-alanine58438-04-368 % similar N-Cbz-D-serine6081-61-465 % similar N-Carbobenzoxy-dl-aspartic acid4515-21-363 % similar

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

Elsewhere

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