Gly-pro P-nitroanilide P-toluenesulfonate salt

C₂₀H₂₄N₄O₇SCAS 65096-46-0464.49 g/mol

Open in Covalent MOL file

Amide Nitro Primary amine Sulfonic acid

Properties

Molecular formula: C₂₀H₂₄N₄O₇S
Molar mass: 464.49 g/mol
Exact mass: 464.1366 Da
logP: 1.72Crippen estimate
Polar surface area: 172.9 Å²
H-bond donors / acceptors: 3 / 7
Rotatable bonds: 5
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

65096-46-0

SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1C[C@H](N(C1)C(=O)CN)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

InChIKey

XHLUWCXVWCBOPP-MERQFXBCSA-N

InChI

InChI=1S/C13H16N4O4.C7H8O3S/c14-8-12(18)16-7-1-2-11(16)13(19)15-9-3-5-10(6-4-9)17(20)21;1-6-2-4-7(5-3-6)11(8,9)10/h3-6,11H,1-2,7-8,14H2,(H,15,19);2-5H,1H3,(H,8,9,10)/t11-;/m0./s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with Gly-pro P-nitroanilide P-toluenesulfonate salt

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.

p-Toluenesulfonic acid monohydrate6192-52-5Hydrate p-Toluenesulfonic acid104-15-4Free acid Sodium p-toluenesulfonate657-84-1Salt Pyridinium p-toluenesulfonate24057-28-1Salt Collidinium P-toluenesulfonate59229-09-3Salt Ferric p-toluenesulfonate77214-82-5Salt Trump IR134127-48-3Salt O-Benzylglycine toluene-p-sulphonate1738-76-7Salt L-Alanine benzyl ester tosylate42854-62-6Salt Valine benzyl ester 4-toluenesulfonate16652-76-9Salt L-Aspartic acid dibenzyl ester tosylate2886-33-1Salt L-Leucine benzyl ester p-toluenesulfonate1738-77-8Salt

Similar compounds

4-Methyl-N-(4-nitrophenyl)benzenesulfonamide734-25-841 % similar 4-Nitrobenzenesulfonic acid138-42-141 % similar Leucine p-nitroanilide4178-93-239 % similar L-Alanine-4-nitroanilide hydrochloride31796-55-138 % similar (S)-2-Amino-5-guanidino-N-(4-nitrophenyl)pentanamide dihydrochloride40127-11-537 % similar Nα-Benzoyl-L-arginine-p-nitroanilide hydrochloride21653-40-734 % similar N-α-Benzoyl-DL-arginine-p-nitroanilide hydrochloride911-77-334 % similar Glycyl-L-proline704-15-434 % similar

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

Elsewhere

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