H-D-Trp-obzl hcl

C₁₈H₁₉ClN₂O₂CAS 22839-16-3330.81 g/mol

Open in Covalent MOL file

Ester Primary amine

Properties

Molecular formula: C₁₈H₁₉ClN₂O₂
Molar mass: 330.81 g/mol
Exact mass: 330.1135 Da
logP: 3.20Crippen estimate
Polar surface area: 68.1 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 5
Stereocentres: Rin SMILES atom order

Hazards

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

Identifiers

CAS number

22839-16-3

SMILES

C1=CC=C(C=C1)COC(=O)[C@@H](CC2=CNC3=CC=CC=C32)N.Cl

InChIKey

DOKDMGOWZOTZRA-PKLMIRHRSA-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-;/m1./s1

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Names and synonyms

1 names

H-D-Trp-OBzl.HCl

Work with H-D-Trp-obzl hcl

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.

L-Tryptophan benzyl ester hydrochloride35858-81-2Enantiomer

Similar compounds

(S)-Tryptophan ethyl ester hydrochloride2899-28-775 % similar H-D-Trp-oet hcl61535-49-775 % similar (R)-Tryptophan methyl ester monohydrochloride14907-27-871 % similar Methyl 2-amino-3-(1H-indol-3-yl)propanoate hydrochloride5619-09-071 % 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 O-Benzyl-L-tyrosine benzyl ester hydrochloride52142-01-557 % similar

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

Elsewhere

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