chempirical

(3S)-3-(9H-Fluoren-9-ylmethoxycarbonylamino)-5-oxo-5-[tri(phenyl)methylamino]pentanoic acid

C39H34N2O5CAS 283160-20-3610.71 g/mol

Open in Covalent MOL file
NHOOOHNHOO
AmideCarbamateCarboxylic acid

Properties

Molecular formula
C39H34N2O5
Molar mass
610.71 g/mol
Exact mass
610.2468 Da
logP
6.87Crippen estimate
Polar surface area
104.7 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
11
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
283160-20-3
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC(=O)C[C@@H](CC(=O)O)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46
InChIKey
AOQYYASFUBPOHJ-PMERELPUSA-N
InChI
InChI=1S/C39H34N2O5/c42-36(41-39(27-14-4-1-5-15-27,28-16-6-2-7-17-28)29-18-8-3-9-19-29)24-30(25-37(43)44)40-38(45)46-26-35-33-22-12-10-20-31(33)32-21-11-13-23-34(32)35/h1-23,30,35H,24-26H2,(H,40,45)(H,41,42)(H,43,44)/t30-/m0/s1

Weigh it out

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

Work with (3S)-3-(9H-Fluoren-9-ylmethoxycarbonylamino)-5-oxo-5-[tri(phenyl)methylamino]pentanoic acid

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-L-beta-homophenylalanine193954-28-869 % similar Fmoc-(S)-3-amino-5-phenylpentanoic acid219967-74-568 % similar Fmoc-beta-Glu(OtBu)-OH209252-17-564 % similar Fmoc-L-beta-homoleucine193887-44-464 % similar Fmoc-L-aspartic acid119062-05-461 % similar Fmoc-D-asp-oh136083-57-361 % similar Fmoc-(S)-3-amino-3-phenylpropionic acid209252-15-361 % similar Fmoc-(R)-3-amino-3-phenylpropionic acid220498-02-261 % similar

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

Same formula

N2-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N-(triphenylmethyl)-L-glutamine132327-80-1 N-Fmoc-N'-trityl-D-glutamine200623-62-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook