chempirical

L-Tryptophan benzyl ester hydrochloride

C18H19ClN2O2CAS 35858-81-2330.81 g/mol

Open in Covalent MOL file
HClNH2HNOO
EsterPrimary amine

Properties

Molecular formula
C18H19ClN2O2
Molar mass
330.81 g/mol
Exact mass
330.1135 Da
Melting point
222 °C
logP
3.20Crippen estimate
Polar surface area
68.1 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
5
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
35858-81-2
SMILES
Cl.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1
InChIKey
DOKDMGOWZOTZRA-NTISSMGPSA-N
InChI
InChI=1S/C18H18N2O2.ClH/c19-16(18(21)22-12-13-6-2-1-3-7-13)10-14-11-20-17-9-5-4-8-15(14)17;/h1-9,11,16,20H,10,12,19H2;1H/t16-;/m0./s1

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Names and synonyms

7 names
  • L-Tryptophan, phenylmethyl ester, hydrochloride (1:1)
  • L-Tryptophan, phenylmethyl ester, monohydrochloride
  • Tryptophan benzyl ester monohydrochloride
  • Benzyl L-tryptophanate hydrochloride
  • NSC 202376
  • NSC 219866
  • H-(L)-Trp-O-Bn hydrochloride

Work with L-Tryptophan benzyl ester hydrochloride

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

(S)-Tryptophan ethyl ester hydrochloride2899-28-775 % similar (R)-Tryptophan methyl ester monohydrochloride14907-27-871 % similar DL-Methyl tryptophanate monohydrochloride5619-09-071 % similar Tryptophan methyl ester hydrochloride7524-52-971 % similar Phenylalanine benzyl ester hydrochloride2462-32-066 % similar N-[(Phenylmethoxy)carbonyl]-L-tryptophan phenylmethyl ester69876-37-560 % similar Dibenzyl L-glutamate hydrochloride4561-10-857 % similar D-Tryptophan153-94-656 % similar

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

Elsewhere

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