chempirical

Fmoc-homoarg-oh

C22H26N4O4CAS 776277-76-0410.47 g/mol

Open in Covalent MOL file
OONHNNH2H2NOHO
CarbamateCarboxylic acidGuanidine

Properties

Molecular formula
C22H26N4O4
Molar mass
410.47 g/mol
Exact mass
410.1954 Da
logP
2.42Crippen estimate
Polar surface area
140.0 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
9
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
776277-76-0
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CCCCN=C(N)N)C(=O)O
InChIKey
QRELIJBJYZHTQU-IBGZPJMESA-N
InChI
InChI=1S/C22H26N4O4/c23-21(24)25-12-6-5-11-19(20(27)28)26-22(29)30-13-18-16-9-3-1-7-14(16)15-8-2-4-10-17(15)18/h1-4,7-10,18-19H,5-6,11-13H2,(H,26,29)(H,27,28)(H4,23,24,25)/t19-/m0/s1

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Work with Fmoc-homoarg-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

Elsewhere

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