Fmoc-D-lys(biotin)-oh

C31H38N4O6SCAS 110990-09-5594.73 g/mol

Open in Covalent MOL file
SONHOOHNHOONHOHN
AmideCarbamateCarboxylic acidSulfideUrea

Properties

Molecular formula
C31H38N4O6S
Molar mass
594.73 g/mol
Exact mass
594.2512 Da
logP
3.99Crippen estimate
Polar surface area
145.9 Ų
H-bond donors / acceptors
5 / 6
Rotatable bonds
14
Stereocentres
R, S, S, 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
110990-09-5
SMILES
C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCC[C@H](C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)NC(=O)N2
InChIKey
OFIBQNGDYNGUEZ-KAHNYGAISA-N
InChI
InChI=1S/C31H38N4O6S/c36-27(15-6-5-14-26-28-25(18-42-26)33-30(39)35-28)32-16-8-7-13-24(29(37)38)34-31(40)41-17-23-21-11-3-1-9-19(21)20-10-2-4-12-22(20)23/h1-4,9-12,23-26,28H,5-8,13-18H2,(H,32,36)(H,34,40)(H,37,38)(H2,33,35,39)/t24-,25+,26+,28+/m1/s1

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Work with Fmoc-D-lys(biotin)-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.

Fmoc-Lys(biotinyl)-OH146987-10-2Diastereomer

Similar compounds

Boc-biocytin62062-43-568 % similar Fmoc-lys(fmoc)-oh78081-87-563 % similar Fmoc-lys(ac)-OH159766-56-059 % similar Fmoc-lys(pal-glu-otbu)-oh1491158-62-357 % similar Fmoc-D-lys(Z)-oh110990-07-357 % similar Fmoc-N-epsilon-trifluoroacetyl-L-lysine76265-69-556 % similar (2R)-6-(((tert-Butoxy)carbonyl)amino)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)hexanoic acid92122-45-756 % similar Fmoc-lys(aloc)-oh146982-27-656 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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