chempirical

Fmoc-orn(dde)-oh

C30H34N2O6CAS 269062-80-8518.61 g/mol

Open in Covalent MOL file
NOOHNHOOOHO
AlkeneCarbamateCarboxylic acidImineKetone

Properties

Molecular formula
C30H34N2O6
Molar mass
518.61 g/mol
Exact mass
518.2417 Da
logP
5.42Crippen estimate
Polar surface area
125.3 Ų
H-bond donors / acceptors
3 / 6
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
269062-80-8
SMILES
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
HJKFYXWSCAFRFO-DEOSSOPVSA-N
InChI
InChI=1S/C30H34N2O6/c1-18(27-25(33)15-30(2,3)16-26(27)34)31-14-8-13-24(28(35)36)32-29(37)38-17-23-21-11-6-4-9-19(21)20-10-5-7-12-22(20)23/h4-7,9-12,23-24,33H,8,13-17H2,1-3H3,(H,32,37)(H,35,36)/t24-/m0/s1

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Work with Fmoc-orn(dde)-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

Fmoc-L-lys(dde)-oh150629-67-796 % similar (R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-((1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethyl)amino)butanoic acid596797-14-791 % similar Fmoc-orn(ivdde)-oh1198321-33-380 % similar Fmoc-D-lys(ivdde)-oh1272755-33-576 % similar (2S)-2-(9H-Fuoren-9-ylmethoxycarbonylamino)-6-((1-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-3-methylbutylidene)amino)hexanoic acid204777-78-676 % similar Dde-lys(fmoc)-oh156648-40-769 % similar Fmoc-3-[[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)-3-methylbutyl]amino]-L-alanine607366-20-168 % similar Fmoc-D-arg-oh130752-32-862 % similar

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

Elsewhere

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