chempirical

Fmoc-chg-oh

C23H25NO4CAS 161321-36-4379.46 g/mol

Open in Covalent MOL file
OOHNHOO
CarbamateCarboxylic acid

Properties

Molecular formula
C23H25NO4
Molar mass
379.46 g/mol
Exact mass
379.1784 Da
logP
4.56Crippen estimate
Polar surface area
75.6 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
5
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
161321-36-4
SMILES
C1CCC(CC1)[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChIKey
BWQQGHPODCJZDB-NRFANRHFSA-N
InChI
InChI=1S/C23H25NO4/c25-22(26)21(15-8-2-1-3-9-15)24-23(27)28-14-20-18-12-6-4-10-16(18)17-11-5-7-13-19(17)20/h4-7,10-13,15,20-21H,1-3,8-9,14H2,(H,24,27)(H,25,26)/t21-/m0/s1

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Work with Fmoc-chg-oh

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

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

Same formula

Fmoc-tranexamic acid167690-53-1 Fmoc-D-chg-oh198543-96-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook