chempirical

Fmoc-dap(fmoc)-oh

C33H28N2O6CAS 201473-90-7548.60 g/mol

Open in Covalent MOL file
OONHOHOHNOO
CarbamateCarboxylic acid

Properties

Molecular formula
C33H28N2O6
Molar mass
548.60 g/mol
Exact mass
548.1947 Da
logP
5.52Crippen estimate
Polar surface area
114.0 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
8
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
201473-90-7
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC[C@@H](C(=O)O)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46
InChIKey
CEEGOSWFFHSPHM-PMERELPUSA-N
InChI
InChI=1S/C33H28N2O6/c36-31(37)30(35-33(39)41-19-29-26-15-7-3-11-22(26)23-12-4-8-16-27(23)29)17-34-32(38)40-18-28-24-13-5-1-9-20(24)21-10-2-6-14-25(21)28/h1-16,28-30H,17-19H2,(H,34,38)(H,35,39)(H,36,37)/t30-/m0/s1

Weigh it out

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

Work with Fmoc-dap(fmoc)-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-dap(aloc)-oh188970-92-582 % similar Boc-dap(fmoc)-oh122235-70-582 % similar N-Fmoc-N'-boc-L-2,3-diaminopropionic acid162558-25-080 % similar Fmoc-D-dap(boc)-oh198544-42-280 % similar (2S)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)butanoic acid135112-27-574 % similar Fmoc-D-abu-oh170642-27-074 % similar Fmoc-L-aspartic acid119062-05-473 % similar Fmoc-L-norvaline135112-28-673 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook