(4S,5R)-3-(Fmoc-ala)-2,2,5-trimethyl-oxazolidine-4-carboxylic acid

C₂₅H₂₈N₂O₆CAS 252554-79-3452.51 g/mol

Open in Covalent MOL file

Amide Carbamate Carboxylic acid Ether

Properties

Molecular formula: C₂₅H₂₈N₂O₆
Molar mass: 452.51 g/mol
Exact mass: 452.1947 Da
logP: 3.35Crippen estimate
Polar surface area: 105.2 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 5
Stereocentres: R, S, Sin SMILES atom order

Identifiers

CAS number

252554-79-3

SMILES

C[C@@H]1[C@H](N(C(O1)(C)C)C(=O)[C@H](C)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O

InChIKey

GBTYMCWKCJUKDT-ZSDSOXJFSA-N

InChI

InChI=1S/C25H28N2O6/c1-14(22(28)27-21(23(29)30)15(2)33-25(27,3)4)26-24(31)32-13-20-18-11-7-5-9-16(18)17-10-6-8-12-19(17)20/h5-12,14-15,20-21H,13H2,1-4H3,(H,26,31)(H,29,30)/t14-,15+,21-/m0/s1

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Names and synonyms

1 names

Fmoc-Ala-Thr(Psi(Me,Me)pro)-OH

Work with (4S,5R)-3-(Fmoc-ala)-2,2,5-trimethyl-oxazolidine-4-carboxylic 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-ser(tbu)-thr(psime,mepro)-oh1266350-99-578 % similar Fmoc-ala-ser(yme,mepro)-oh252554-78-272 % similar Fmoc-gly-thr(psi me,me pro)-oh1262308-49-571 % similar Fmoc-O-tert-butyl-D-threonine138797-71-459 % similar Fmoc-D-allo-thr(tbu)-oh170643-02-459 % similar Fmoc-allo-thr(tbu)-oh201481-37-059 % similar (5R)-3-[(2S)-2-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-1,4-dioxo-4-[(triphenylmethyl)amino]butyl]-2,2,5-trimethyl-4-oxazolidinecarboxylic acid957780-59-559 % similar Fmoc-val-ser(psime,mepro)-oh186023-49-458 % similar

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

Same formula

Fmoc-lys(aloc)-oh146982-27-6 (2S,4R)-Fmoc-4-amino-1-boc-pyrrolidine-2-carboxylic acid176486-63-8 4-Boc-1-fmoc-2-piperazinecarboxylic acid183742-23-6 N-Alpha-allyloxycarbonyl-N-epsilon-(9-fluorenylmethyloxycarbonyl)-L-lysine186350-56-1 N2-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N6-[(2-propen-1-yloxy)carbonyl]-D-lysine214750-75-1 1-((tert-Butoxy)carbonyl)-4-(((9H-fluoren-9-yl)methoxy)carbonyl)piperazine-2-carboxylic acid218278-58-1

Elsewhere

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