chempirical

Fmoc-hyp(bzl)-oh

C27H25NO5CAS 174800-02-3443.50 g/mol

Open in Covalent MOL file
NOHOOOO
CarbamateCarboxylic acidEther

Properties

Molecular formula
C27H25NO5
Molar mass
443.50 g/mol
Exact mass
443.1733 Da
logP
4.68Crippen estimate
Polar surface area
76.1 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
6
Stereocentres
R, Sin SMILES atom order

Identifiers

CAS number
174800-02-3
SMILES
C1[C@H](CN([C@@H]1C(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)OCC5=CC=CC=C5
InChIKey
XGFMHBUVVWZBFT-CLOONOSVSA-N
InChI
InChI=1S/C27H25NO5/c29-26(30)25-14-19(32-16-18-8-2-1-3-9-18)15-28(25)27(31)33-17-24-22-12-6-4-10-20(22)21-11-5-7-13-23(21)24/h1-13,19,24-25H,14-17H2,(H,29,30)/t19-,25+/m1/s1

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Work with Fmoc-hyp(bzl)-oh

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-hyp(tbu)-oh122996-47-870 % similar (4S)-1-Fmoc-4-methyl-L-proline1228577-03-468 % similar (2S,4R)-1-(((9H-Fluoren-9-yl)methoxy)carbonyl)-4-fluoropyrrolidine-2-carboxylic acid203866-20-067 % similar (S)-N-Fmoc-azetidine-2-carboxylic acid136552-06-261 % similar N-(9-Fluorenylmethoxycarbonyl)-D-proline101555-62-859 % similar Fmoc-pro-oh71989-31-659 % similar Fmoc-N-methyl-D-phenylalanine138775-05-059 % similar Fmoc-N-methyl-O-benzyl-L-threonine198561-81-858 % similar

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

Same formula

(R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(3-(allyloxy)phenyl)propanoic acid1217835-37-4

Elsewhere

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