chempirical

N2-[(1,1-Dimethylethoxy)carbonyl]-N-9H-xanthen-9-yl-L-glutamine

C23H26N2O6CAS 55260-24-7426.47 g/mol

Open in Covalent MOL file
OOHNOHNOOOH
Carboxylic acidEther

Properties

Molecular formula
C23H26N2O6
Molar mass
426.47 g/mol
Exact mass
426.1791 Da
logP
4.80Crippen estimate
Polar surface area
120.9 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
6
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
55260-24-7
SMILES
CC(C)(C)OC(O)=N[C@@H](CCC(O)=NC1c2ccccc2Oc2ccccc21)C(=O)O
InChIKey
HOIIDGIJEPOSLL-INIZCTEOSA-N
InChI
InChI=1S/C23H26N2O6/c1-23(2,3)31-22(29)24-16(21(27)28)12-13-19(26)25-20-14-8-4-6-10-17(14)30-18-11-7-5-9-15(18)20/h4-11,16,20H,12-13H2,1-3H3,(H,24,29)(H,25,26)(H,27,28)/t16-/m0/s1

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Names and synonyms

2 names
  • L-Glutamine, N2-[(1,1-dimethylethoxy)carbonyl]-N-9H-xanthen-9-yl-
  • (2S)-2-[(2-Methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-(9H-xanthen-9-ylamino)pentanoic acid

Work with N2-[(1,1-Dimethylethoxy)carbonyl]-N-9H-xanthen-9-yl-L-glutamine

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

5-(Phenylmethyl) hydrogen N-[(1,1-dimethylethoxy)carbonyl]-L-glutamate13574-13-558 % similar 5-(1,1-Dimethylethyl) hydrogen N-[(1,1-dimethylethoxy)carbonyl]-L-glutamate13726-84-656 % similar N2-[(1,1-Dimethylethoxy)carbonyl]-N5-[(phenylmethoxy)carbonyl]-D-ornithine16937-92-155 % similar N-tert-Butoxycarbonyl-D-phenylalanine18942-49-955 % similar N2-[(1,1-Dimethylethoxy)carbonyl]-N6-[(phenylmethoxy)carbonyl]-L-lysine2389-45-955 % similar N-(9-Fluorenylmethoxycarbonyl)-L-glutamic acid γ-tert-butyl ester71989-18-955 % similar Boc-L-glutamine13726-85-753 % similar 5-(1,1-Dimethylethyl) hydrogen N-[(phenylmethoxy)carbonyl]-L-glutamate3886-08-653 % similar

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

Same formula

Boc-dap(fmoc)-oh122235-70-5 N-[(1,1-Dimethylethoxy)carbonyl]-3-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-D-alanine131570-56-4 N-Fmoc-N'-boc-L-2,3-diaminopropionic acid162558-25-0

Elsewhere

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