chempirical

Fmoc-val-osu

C24H24N2O6CAS 130878-68-1436.46 g/mol

Open in Covalent MOL file
OONOONHOO
AmideCarbamateLactam

Properties

Molecular formula
C24H24N2O6
Molar mass
436.46 g/mol
Exact mass
436.1634 Da
logP
3.16Crippen estimate
Polar surface area
102.0 Ų
H-bond donors / acceptors
1 / 6
Rotatable bonds
6
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
130878-68-1
SMILES
CC(C)[C@@H](C(=O)ON1C(=O)CCC1=O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChIKey
JPJMNCROLRPFHI-QFIPXVFZSA-N
InChI
InChI=1S/C24H24N2O6/c1-14(2)22(23(29)32-26-20(27)11-12-21(26)28)25-24(30)31-13-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h3-10,14,19,22H,11-13H2,1-2H3,(H,25,30)/t22-/m0/s1

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Work with Fmoc-val-osu

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook