chempirical

2-[4-[(2,4-Dimethoxyphenyl)[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]methyl]phenoxy]acetic acid

C32H29NO7CAS 126828-35-1539.58 g/mol

Open in Covalent MOL file
ONHOOOOOHO
Carboxylic acidEther

Properties

Molecular formula
C32H29NO7
Molar mass
539.58 g/mol
Exact mass
539.1944 Da
logP
6.00Crippen estimate
Polar surface area
106.8 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
10

Identifiers

CAS number
126828-35-1
SMILES
COc1ccc(C(N=C(O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCC(=O)O)cc2)c(OC)c1
InChIKey
UPMGJEMWPQOACJ-UHFFFAOYSA-N
InChI
InChI=1S/C32H29NO7/c1-37-22-15-16-27(29(17-22)38-2)31(20-11-13-21(14-12-20)39-19-30(34)35)33-32(36)40-18-28-25-9-5-3-7-23(25)24-8-4-6-10-26(24)28/h3-17,28,31H,18-19H2,1-2H3,(H,33,36)(H,34,35)

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Names and synonyms

7 names
  • Acetic acid, 2-[4-[(2,4-dimethoxyphenyl)[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]methyl]phenoxy]-
  • Acetic acid, [4-[(2,4-dimethoxyphenyl)[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]methyl]phenoxy]-
  • FMOC-AM
  • Fmoc-knorr
  • Fmoc-knorr-linker
  • Fmoc-Rink linker
  • 2-(4-(((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)(2,4-dimethoxyphenyl)methyl)phenoxy)acetic acid

Work with 2-[4-[(2,4-Dimethoxyphenyl)[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]methyl]phenoxy]acetic 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

2-[[5-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-10,11-dihydro-5H-dibenzo[A,D]cyclohepten-2-yl]oxy]acetic acid212783-75-063 % similar Fmoc-(dmb)gly-oh166881-42-151 % similar Fmoc-N-(2,4,6-trimethoxybenzyl)-glycine166881-43-249 % similar (3R,4S)-3-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-4-methylhexanoic acid193954-27-749 % similar (βS)-4-(1,1-Dimethylethoxy)-β-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]benzenebutanoic acid219967-69-848 % similar (βR)-4-Bromo-β-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]benzenepropanoic acid220498-04-448 % similar O-Ethyl-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-D-tyrosine162502-65-047 % similar Fmoc-gly-oh29022-11-547 % similar

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

Same formula

2-[4-[(2,4-Dimethoxyphenyl)[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]methyl]phenoxy]acetic acid145069-56-3

Elsewhere

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