(2S,3R)-3-(Benzyloxy)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)butanoic acid

C₂₆H₂₅NO₅CAS 117872-75-0431.49 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid Ether

Properties

Molecular formula: C₂₆H₂₅NO₅
Molar mass: 431.49 g/mol
Exact mass: 431.1733 Da
logP: 4.58Crippen estimate
Polar surface area: 84.9 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 8
Stereocentres: R, Sin SMILES atom order

Identifiers

CAS number

117872-75-0

SMILES

C[C@H]([C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)OCC4=CC=CC=C4

InChIKey

UCDMMWCWPVCHLL-OSPHWJPCSA-N

InChI

InChI=1S/C26H25NO5/c1-17(31-15-18-9-3-2-4-10-18)24(25(28)29)27-26(30)32-16-23-21-13-7-5-11-19(21)20-12-6-8-14-22(20)23/h2-14,17,23-24H,15-16H2,1H3,(H,27,30)(H,28,29)/t17-,24+/m1/s1

Weigh it out

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

Names and synonyms

1 names

Fmoc-thr(bzl)-oh

Work with (2S,3R)-3-(Benzyloxy)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)butanoic 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-D-allo-ile-oh118904-37-365 % similar Fmoc-L-phenylglycine102410-65-160 % similar Fmoc-D-phg-oh111524-95-960 % similar (2R)-2-(((9H-Fluoren-9-ylmethoxy)carbonyl)amino)-4-methylpentanoic acid114360-54-259 % similar Fmoc-D-lys(Z)-oh110990-07-357 % similar Fmoc-D-ser-oh116861-26-856 % similar Fmoc-D-nle-oh112883-41-755 % similar Fmoc-L-aspartic acid119062-05-454 % similar

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

Same formula

O-Ethyl-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-D-tyrosine162502-65-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook