α-N-Tosyl-L-arginine methyl ester hydrochloride

C₁₄H₂₃ClN₄O₄SCAS 1784-03-8378.87 g/mol

Open in Covalent MOL file

Ester Guanidine Sulfonamide

Properties

Molecular formula: C₁₄H₂₃ClN₄O₄S
Molar mass: 378.87 g/mol
Exact mass: 378.1129 Da
logP: 0.50Crippen estimate
Polar surface area: 134.4 Å²
H-bond donors / acceptors: 4 / 5
Rotatable bonds: 8
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

1784-03-8

SMILES

COC(=O)[C@H](CCCNC(=N)N)NS(=O)(=O)c1ccc(C)cc1.Cl

InChIKey

JIQFFACVQXXHMY-YDALLXLXSA-N

InChI

InChI=1S/C14H22N4O4S.ClH/c1-10-5-7-11(8-6-10)23(20,21)18-12(13(19)22-2)4-3-9-17-14(15)16;/h5-8,12,18H,3-4,9H2,1-2H3,(H4,15,16,17);1H/t12-;/m0./s1

Weigh it out

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

Names and synonyms

6 names

L-Arginine, N2-[(4-methylphenyl)sulfonyl]-, methyl ester, hydrochloride (1:1)
Arginine, N2-(p-tolylsulfonyl)-, methyl ester, monohydrochloride, L-
L-Arginine, N2-[(4-methylphenyl)sulfonyl]-, methyl ester, monohydrochloride
Nα-Tosyl-L-arginine methyl ester hydrochloride
Tosyl-L-arginine methyl ester hydrochloride
Tosylarginine methyl ester hydrochloride

Work with α-N-Tosyl-L-arginine methyl ester hydrochloride

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

α-Tosyl-L-arginine methyl ester901-47-394 % similar Arginine methyl ester dihydrochloride26340-89-654 % similar Nα-P-tosyl-L-lysine chloromethyl ketone hydrochloride4272-74-649 % similar Tos-arg-oh1159-15-545 % similar Tosyl-L-lysine chloromethyl ketone2364-87-644 % similar Arginine ethyl ester dihydrochloride36589-29-443 % similar N-[(4-Methylphenyl)sulfonyl]-L-glutamic acid4816-80-242 % similar Methyl prolinate hydrochloride2133-40-642 % similar

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

Elsewhere

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