Dde-lys(fmoc)-oh

C₃₁H₃₆N₂O₆CAS 156648-40-7532.64 g/mol

Open in Covalent MOL file

Alkene Carbamate Carboxylic acid Imine Ketone

Properties

Molecular formula: C₃₁H₃₆N₂O₆
Molar mass: 532.64 g/mol
Exact mass: 532.2573 Da
logP: 5.81Crippen estimate
Polar surface area: 125.3 Å²
H-bond donors / acceptors: 3 / 6
Rotatable bonds: 10
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

156648-40-7

SMILES

CC(=N[C@@H](CCCCNC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)C(=O)O)C4=C(CC(CC4=O)(C)C)O

InChIKey

HJGADLBSAXYSSH-VWLOTQADSA-N

InChI

InChI=1S/C31H36N2O6/c1-19(28-26(34)16-31(2,3)17-27(28)35)33-25(29(36)37)14-8-9-15-32-30(38)39-18-24-22-12-6-4-10-20(22)21-11-5-7-13-23(21)24/h4-7,10-13,24-25,34H,8-9,14-18H2,1-3H3,(H,32,38)(H,36,37)/t25-/m0/s1

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Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

L-Lysine, N2-(1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethyl)-N6-((9H-fluoren-9-ylmethoxy)carbonyl)-

Work with Dde-lys(fmoc)-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-D-lys(ivdde)-oh1272755-33-560 % similar Fmoc-orn(ivdde)-oh1198321-33-359 % similar Fmoc-D-lys(Z)-oh110990-07-352 % similar Fmoc-D-orn(boc)-oh118476-89-452 % similar Boc-L-2,4-diaminobutyric acid(fmoc)117106-21-550 % similar Fmoc-L-citrulline133174-15-948 % similar Fmoc-D-nle-oh112883-41-748 % similar Fmoc-dab(boc)-oh125238-99-548 % similar

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

Same formula

Fmoc-L-lys(dde)-oh150629-67-7

Elsewhere

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