Fmoc-D-lys(ivdde)-oh

C34H42N2O6CAS 1272755-33-5574.72 g/mol

Open in Covalent MOL file
NOOHNHOOOHO
AlkeneCarbamateCarboxylic acidImineKetone

Properties

Molecular formula
C34H42N2O6
Molar mass
574.72 g/mol
Exact mass
574.3043 Da
logP
6.84Crippen estimate
Polar surface area
125.3 Ų
H-bond donors / acceptors
3 / 6
Rotatable bonds
12
Stereocentres
Rin 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
1272755-33-5
SMILES
CC(C)CC(=NCCCC[C@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)C4=C(CC(CC4=O)(C)C)O
InChIKey
LHJJUCZESVFWSO-HHHXNRCGSA-N
InChI
InChI=1S/C34H42N2O6/c1-21(2)17-28(31-29(37)18-34(3,4)19-30(31)38)35-16-10-9-15-27(32(39)40)36-33(41)42-20-26-24-13-7-5-11-22(24)23-12-6-8-14-25(23)26/h5-8,11-14,21,26-27,37H,9-10,15-20H2,1-4H3,(H,36,41)(H,39,40)/t27-/m1/s1

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Work with Fmoc-D-lys(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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(2S)-2-(9H-Fuoren-9-ylmethoxycarbonylamino)-6-((1-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-3-methylbutylidene)amino)hexanoic acid204777-78-6Enantiomer

Similar compounds

Fmoc-orn(ivdde)-oh1198321-33-396 % similar Fmoc-3-[[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)-3-methylbutyl]amino]-L-alanine607366-20-182 % similar Fmoc-L-lys(dde)-oh150629-67-780 % similar Fmoc-orn(dde)-oh269062-80-876 % similar Fmoc-asp(odmab)-oh269066-08-272 % similar (R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-((1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethyl)amino)butanoic acid596797-14-771 % similar Dde-lys(fmoc)-oh156648-40-760 % similar Fmoc-homoarg-oh776277-76-060 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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