Fmoc-Lys(biotinyl)-OH

C₃₁H₃₈N₄O₆SCAS 146987-10-2594.73 g/mol

Open in Covalent MOL file

Amide Carbamate Carboxylic acid Sulfide Urea

Properties

Molecular formula: C₃₁H₃₈N₄O₆S
Molar mass: 594.73 g/mol
Exact mass: 594.2512 Da
logP: 3.99Crippen estimate
Polar surface area: 145.9 Å²
H-bond donors / acceptors: 5 / 6
Rotatable bonds: 14
Stereocentres: R, S, S, Sin SMILES atom order

Identifiers

CAS number

146987-10-2

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-OBXRUURASA-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-/m0/s1

Weigh it out

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

Names and synonyms

1 names

Fmoc-lys(biotin)-oh

Work with Fmoc-Lys(biotinyl)-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(Z)-oh110990-07-357 % similar Fmoc-L-citrulline133174-15-955 % similar Fmoc-lys-oh105047-45-854 % similar Fmoc-D-nle-oh112883-41-753 % similar Fmoc-D-orn(boc)-oh118476-89-453 % similar Fmoc-L-glutamic acid121343-82-651 % similar Fmoc-D-arg-oh130752-32-851 % similar Fmoc-Cys(tert-butoxycarnylpropyl)-OH102971-73-350 % similar

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

Same formula

Fmoc-D-lys(biotin)-oh110990-09-5

Elsewhere

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