chempirical

Fmoc-L-beta-homolysine(boc)

C27H34N2O6CAS 203854-47-1482.58 g/mol

Open in Covalent MOL file
OONHOHONHOO
CarbamateCarboxylic acid

Properties

Molecular formula
C27H34N2O6
Molar mass
482.58 g/mol
Exact mass
482.2417 Da
logP
5.06Crippen estimate
Polar surface area
114.0 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
10
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
203854-47-1
SMILES
CC(C)(C)OC(=O)NCCCC[C@@H](CC(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChIKey
SDBUQLGECIYUDT-SFHVURJKSA-N
InChI
InChI=1S/C27H34N2O6/c1-27(2,3)35-25(32)28-15-9-8-10-18(16-24(30)31)29-26(33)34-17-23-21-13-6-4-11-19(21)20-12-5-7-14-22(20)23/h4-7,11-14,18,23H,8-10,15-17H2,1-3H3,(H,28,32)(H,29,33)(H,30,31)/t18-/m0/s1

Weigh it out

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

Work with Fmoc-L-beta-homolysine(boc)

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-beta-Hoglu(Otbu)-OH203854-49-373 % similar Fmoc-beta-Glu(OtBu)-OH209252-17-571 % similar Fmoc-dab(boc)-oh125238-99-565 % similar N-Alpha-tert-Butyloxycarbonylaspartic acid beta-fluorenylmethyl ester129046-87-364 % similar (S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(tert-butoxy)-4-oxobutanoic acid129460-09-964 % similar Fmoc-D-asp-otbu134098-70-764 % similar Boc-orn(fmoc)-oh150828-96-964 % similar Fmoc-L-beta-homoleucine193887-44-460 % similar

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

Same formula

(R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)(methyl)amino)-6-((tert-butoxycarbonyl)amino)hexanoic acid1793105-27-7 Fmoc-N-me-lys(boc)-oh197632-76-1

Elsewhere

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