N-((4-Methylphenyl)sulfonyl)-L-phenylalanine

C₁₆H₁₇NO₄SCAS 13505-32-3319.38 g/mol

Open in Covalent MOL file

Carboxylic acid Sulfonamide

Properties

Molecular formula: C₁₆H₁₇NO₄S
Molar mass: 319.38 g/mol
Exact mass: 319.0878 Da
logP: 1.97Crippen estimate
Polar surface area: 83.5 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 6
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

13505-32-3

SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O

InChIKey

CGRCVIZBNRUWLY-HNNXBMFYSA-N

InChI

InChI=1S/C16H17NO4S/c1-12-7-9-14(10-8-12)22(20,21)17-15(16(18)19)11-13-5-3-2-4-6-13/h2-10,15,17H,11H2,1H3,(H,18,19)/t15-/m0/s1

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Names and synonyms

1 names

N-(P-Toluenesulfonyl)-L-phenylalanine

Work with N-((4-Methylphenyl)sulfonyl)-L-phenylalanine

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

Tosyl phenylalanyl chloromethyl ketone402-71-168 % similar N-[(4-Methylphenyl)sulfonyl]-L-glutamic acid4816-80-264 % similar Tos-arg-oh1159-15-557 % similar Dansyl-L-phenylalanine1104-36-555 % similar N-Benzyl-P-toluenesulfonamide1576-37-051 % similar (1R,2R)-(-)-N-P-Tosyl-1,2-diphenylethylenediamine144222-34-448 % similar (1S,2S)-(+)-N-(4-Toluenesulfonyl)-1,2-diphenylethylenediamine167316-27-048 % similar 4-Methylbenzenesulfonic acid 2-[2-phenyl-1-(phenylmethyl)ethylidene]hydrazide19816-88-748 % similar

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

Elsewhere

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