chempirical

(R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-((1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethyl)amino)butanoic acid

C29H32N2O6CAS 596797-14-7504.58 g/mol

Open in Covalent MOL file
NOOHNHOOOHO
AlkeneCarbamateCarboxylic acidImineKetone

Properties

Molecular formula
C29H32N2O6
Molar mass
504.58 g/mol
Exact mass
504.2260 Da
logP
5.03Crippen estimate
Polar surface area
125.3 Ų
H-bond donors / acceptors
3 / 6
Rotatable bonds
8
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
596797-14-7
SMILES
CC(=NCC[C@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)C4=C(CC(CC4=O)(C)C)O
InChIKey
AFBHGOUICAXOQZ-HSZRJFAPSA-N
InChI
InChI=1S/C29H32N2O6/c1-17(26-24(32)14-29(2,3)15-25(26)33)30-13-12-23(27(34)35)31-28(36)37-16-22-20-10-6-4-8-18(20)19-9-5-7-11-21(19)22/h4-11,22-23,32H,12-16H2,1-3H3,(H,31,36)(H,34,35)/t23-/m1/s1

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Names and synonyms

1 names
  • Fmoc-D-dab(dde)-oh

Work with (R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-((1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethyl)amino)butanoic acid

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-orn(dde)-oh269062-80-891 % similar Fmoc-L-lys(dde)-oh150629-67-790 % similar Fmoc-orn(ivdde)-oh1198321-33-372 % similar Fmoc-D-lys(ivdde)-oh1272755-33-571 % similar (2S)-2-(9H-Fuoren-9-ylmethoxycarbonylamino)-6-((1-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-3-methylbutylidene)amino)hexanoic acid204777-78-671 % similar Fmoc-3-[[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)-3-methylbutyl]amino]-L-alanine607366-20-169 % similar Dde-lys(fmoc)-oh156648-40-767 % similar Fmoc-asp(odmab)-oh269066-08-261 % similar

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

Elsewhere

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