Fmoc-L-statine

C₂₃H₂₇NO₅CAS 158257-40-0397.47 g/mol

Open in Covalent MOL file

Alcohol Carbamate Carboxylic acid

Properties

Molecular formula: C₂₃H₂₇NO₅
Molar mass: 397.47 g/mol
Exact mass: 397.1889 Da
logP: 3.78Crippen estimate
Polar surface area: 95.9 Å²
H-bond donors / acceptors: 3 / 4
Rotatable bonds: 8
Stereocentres: S, Sin SMILES atom order

Identifiers

CAS number

158257-40-0

SMILES

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

InChIKey

JGUYYODGVQXZAY-SFTDATJTSA-N

InChI

InChI=1S/C23H27NO5/c1-14(2)11-20(21(25)12-22(26)27)24-23(28)29-13-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h3-10,14,19-21,25H,11-13H2,1-2H3,(H,24,28)(H,26,27)/t20-,21-/m0/s1

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

Names and synonyms

1 names

Fmoc-sta-oh

Work with Fmoc-L-statine

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-aspartic acid119062-05-463 % similar (2R)-2-(((9H-Fluoren-9-ylmethoxy)carbonyl)amino)-4-methylpentanoic acid114360-54-261 % similar (S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(tert-butoxy)-4-oxobutanoic acid129460-09-958 % similar Fmoc-(R)-3-amino-3-(2-furyl)-propionic acid1217662-55-956 % similar N-Alpha-tert-Butyloxycarbonylaspartic acid beta-fluorenylmethyl ester129046-87-356 % similar Fmoc-L-glutamic acid121343-82-652 % similar Fmoc-D-allo-ile-oh118904-37-352 % similar Fmoc-gamma-abu-oh116821-47-751 % similar

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

Same formula

Nalpha-((9H-Fluoren-9-ylmethoxy)carbonyl)-L-threonine tert-Butyl Ester120791-76-6 Fmoc-O-tert-butyl-D-threonine138797-71-4 Fmoc-D-allo-thr(tbu)-oh170643-02-4 (3R)-4-(1,1-Dimethylethoxy)-3-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]butanoic acid203854-51-7 N-(9-Fluorenylmethoxycarbonyl)-O-tert-butylthreonine71989-35-0 O-(1,1-Dimethylethyl)-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-2-methyl-L-serine914399-98-7

Elsewhere

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