Benzyl N-((benzyloxy)carbonyl)-L-serinate

C₁₈H₁₉NO₅CAS 21209-51-8329.35 g/mol

Open in Covalent MOL file

Alcohol Carbamate Ester

Properties

Molecular formula: C₁₈H₁₉NO₅
Molar mass: 329.35 g/mol
Exact mass: 329.1263 Da
logP: 2.02Crippen estimate
Polar surface area: 84.9 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 7
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

21209-51-8

SMILES

C1=CC=C(C=C1)COC(=O)[C@H](CO)NC(=O)OCC2=CC=CC=C2

InChIKey

MHHDPGHZHFJLBZ-INIZCTEOSA-N

InChI

InChI=1S/C18H19NO5/c20-11-16(17(21)23-12-14-7-3-1-4-8-14)19-18(22)24-13-15-9-5-2-6-10-15/h1-10,16,20H,11-13H2,(H,19,22)/t16-/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

Z-Ser-obzl

Work with Benzyl N-((benzyloxy)carbonyl)-L-serinate

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

Boc-D-ser-obzl141527-78-876 % similar Z-D-Gln-oh13139-52-156 % similar Benzyl 3-oxocyclobutylcarbamate130369-36-756 % similar N-Boc-3-iodo-L-alanine benzyl ester108957-20-655 % similar D-Serine benzyl ester hydrochloride151651-44-454 % similar O-tert-Butyl-N-carbobenzoxy-L-serine methyl ester1872-59-954 % similar Fmoc-glu-obzl122350-52-154 % similar N-Carbobenzoxy-dl-norleucine15027-13-153 % similar

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

Same formula

N-[(Phenylmethoxy)carbonyl]-L-tyrosine methyl ester13512-31-7 N-[(Phenylmethoxy)carbonyl]-O-(phenylmethyl)-L-serine20806-43-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook