chempirical

Z-Ser(tos)-ome

C19H21NO7SCAS 1492-52-0407.44 g/mol

Open in Covalent MOL file
SOOOOONHOO
CarbamateEsterSulfonate ester

Properties

Molecular formula
C19H21NO7S
Molar mass
407.44 g/mol
Exact mass
407.1039 Da
logP
2.17Crippen estimate
Polar surface area
108.0 Ų
H-bond donors / acceptors
1 / 7
Rotatable bonds
8
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
1492-52-0
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H](C(=O)OC)NC(=O)OCC2=CC=CC=C2
InChIKey
VHGXRGXCDVQIKS-KRWDZBQOSA-N
InChI
InChI=1S/C19H21NO7S/c1-14-8-10-16(11-9-14)28(23,24)27-13-17(18(21)25-2)20-19(22)26-12-15-6-4-3-5-7-15/h3-11,17H,12-13H2,1-2H3,(H,20,22)/t17-/m0/s1

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Work with Z-Ser(tos)-ome

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

O-tert-Butyl-N-carbobenzoxy-L-serine methyl ester1872-59-960 % similar Benzyl-PEG5-ots129086-10-847 % similar Benzyl N-((benzyloxy)carbonyl)-L-serinate21209-51-847 % similar 3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-, phenylmethyl ester, (3S)-, 4-methylbenzenesulfonate (1:1)77497-97-345 % similar D-Alanine benzyl ester p-toluenesulfonate41036-32-244 % similar L-Alanine benzyl ester tosylate42854-62-644 % similar L-Phenylalanine benzyl ester p-toluenesulfonate1738-78-943 % similar Valine benzyl ester 4-toluenesulfonate16652-76-943 % similar

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

Elsewhere

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