chempirical

Fmoc-lys(dansyl)-OH

C33H35N3O6SCAS 118584-90-0601.72 g/mol

Open in Covalent MOL file
NSOONHOOHNHOO
CarbamateCarboxylic acidSulfonamideTertiary amine

Properties

Molecular formula
C33H35N3O6S
Molar mass
601.72 g/mol
Exact mass
601.2247 Da
logP
5.35Crippen estimate
Polar surface area
125.0 Ų
H-bond donors / acceptors
3 / 6
Rotatable bonds
12
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
118584-90-0
SMILES
CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NCCCC[C@@H](C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChIKey
SLBNIPMLSUPCFW-LJAQVGFWSA-N
InChI
InChI=1S/C33H35N3O6S/c1-36(2)30-18-9-16-27-26(30)15-10-19-31(27)43(40,41)34-20-8-7-17-29(32(37)38)35-33(39)42-21-28-24-13-5-3-11-22(24)23-12-4-6-14-25(23)28/h3-6,9-16,18-19,28-29,34H,7-8,17,20-21H2,1-2H3,(H,35,39)(H,37,38)/t29-/m0/s1

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Names and synonyms

1 names
  • Fmoc-L-lys(dansyl)-oh

Work with Fmoc-lys(dansyl)-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-nle-oh112883-41-756 % similar Fmoc-lys-oh105047-45-855 % similar Fmoc-D-lys(Z)-oh110990-07-354 % similar Fmoc-L-citrulline133174-15-952 % similar Fmoc-D-orn(boc)-oh118476-89-452 % similar Fmoc-L-homophenylalanine132684-59-451 % similar Dansyl-L-phenylalanine1104-36-551 % similar Fmoc-L-glutamic acid121343-82-650 % similar

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

Elsewhere

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