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

C20H20N2O4SCAS 221446-55-5384.45 g/mol

Open in Covalent MOL file
SOONHOONH
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.

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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

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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

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.

3-(N-Tosyl-L-alaninyloxy)-5-phenylpyrrole99740-00-8

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 Nalpha-Tosyl-L-phenylalanine 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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