chempirical

Boc-D-alg(boc)2-oh

C19H34N4O8CAS 1931922-99-4446.50 g/mol

Open in Covalent MOL file
OONHNNHOONHOOOHO
CarbamateCarboxylic acidGuanidine

Properties

Molecular formula
C19H34N4O8
Molar mass
446.50 g/mol
Exact mass
446.2377 Da
logP
2.37Crippen estimate
Polar surface area
164.7 Ų
H-bond donors / acceptors
4 / 8
Rotatable bonds
4
Stereocentres
Rin 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
1931922-99-4
SMILES
CC(C)(C)OC(=O)N[C@H](CN=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C(=O)O
InChIKey
KNFDNRSWAHJRET-LLVKDONJSA-N
InChI
InChI=1S/C19H34N4O8/c1-17(2,3)29-14(26)21-11(12(24)25)10-20-13(22-15(27)30-18(4,5)6)23-16(28)31-19(7,8)9/h11H,10H2,1-9H3,(H,21,26)(H,24,25)(H2,20,22,23,27,28)/t11-/m1/s1

Weigh it out

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Work with Boc-D-alg(boc)2-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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