Gly-pro P-nitroanilide P-toluenesulfonate salt

C20H24N4O7SCAS 65096-46-0464.49 g/mol

Open in Covalent MOL file
SOOOHNOH2NOHNN+OO−
AmideNitroPrimary amineSulfonic 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 Ų
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 1-Cyclohexyl-3-(2-morpholinoethyl)carbodiimide metho-p-toluenesulfonate2491-17-0Salt 1-Cyclohexyl-3-(2-morpholinoethyl)carbodiimide metho-p-toluenesulfonate4641-47-8Salt

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-Alpha-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

PubChem CAS Common Chemistry NIST WebBook