Fmoc-orn(ivdde)-oh

C33H40N2O6CAS 1198321-33-3560.69 g/mol

Open in Covalent MOL file
NOOHNHOOOHO
AlkeneCarbamateCarboxylic acidImineKetone

Properties

Molecular formula
C33H40N2O6
Molar mass
560.69 g/mol
Exact mass
560.2886 Da
logP
6.45Crippen estimate
Polar surface area
125.3 Ų
H-bond donors / acceptors
3 / 6
Rotatable bonds
11
Stereocentres
Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
1198321-33-3
SMILES
CC(C)CC(=NCCC[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)C4=C(CC(CC4=O)(C)C)O
InChIKey
FEZWSEOHAQFMBS-SANMLTNESA-N
InChI
InChI=1S/C33H40N2O6/c1-20(2)16-27(30-28(36)17-33(3,4)18-29(30)37)34-15-9-14-26(31(38)39)35-32(40)41-19-25-23-12-7-5-10-21(23)22-11-6-8-13-24(22)25/h5-8,10-13,20,25-26,36H,9,14-19H2,1-4H3,(H,35,40)(H,38,39)/t26-/m0/s1

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Work with Fmoc-orn(ivdde)-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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