chempirical

3-(N-Tosyl-L-alaninyloxy)-5-phenylpyrrole

C20H20N2O4SCAS 221446-55-5384.45 g/mol

Open in Covalent MOL file
SOOHNOOHN
EsterSulfonamide

Properties

Molecular formula
C20H20N2O4S
Molar mass
384.45 g/mol
Exact mass
384.1144 Da
logP
3.26Crippen estimate
Polar surface area
88.3 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
6
Stereocentres
Sin 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
221446-55-5
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C)C(=O)OC2=CNC(=C2)C3=CC=CC=C3
InChIKey
VZALJYJCTCKOHO-HNNXBMFYSA-N
InChI
InChI=1S/C20H20N2O4S/c1-14-8-10-18(11-9-14)27(24,25)22-15(2)20(23)26-17-12-19(21-13-17)16-6-4-3-5-7-16/h3-13,15,21-22H,1-2H3/t15-/m0/s1

Weigh it out

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Work with 3-(N-Tosyl-L-alaninyloxy)-5-phenylpyrrole

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-[(4-Methylphenyl)sulfonyl]-L-alanine 1H-indol-3-yl ester75062-54-361 % similar N-((4-Methylphenyl)sulfonyl)-L-phenylalanine13505-32-339 % similar Tosyl phenylalanyl chloromethyl ketone402-71-138 % similar (1R,2R)-(-)-N-P-Tosyl-1,2-diphenylethylenediamine144222-34-438 % similar (1S,2S)-(+)-N-(4-Toluenesulfonyl)-1,2-diphenylethylenediamine167316-27-038 % similar N-Benzyl-p-toluenesulfonamide1576-37-037 % similar N-Cyclohexyl-4-toluenesulfonamide80-30-835 % similar α-Tosyl-L-arginine methyl ester901-47-335 % similar

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

Elsewhere

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