(R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-(tert-butoxy)phenyl)propanoic acid

C₂₈H₂₉NO₅CAS 118488-18-9459.54 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid Ether

Properties

Molecular formula: C₂₈H₂₉NO₅
Molar mass: 459.54 g/mol
Exact mass: 459.2046 Da
logP: 5.40Crippen estimate
Polar surface area: 84.9 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 7
Stereocentres: Rin SMILES atom order

Identifiers

CAS number

118488-18-9

SMILES

CC(C)(C)OC1=CC=C(C=C1)C[C@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

InChIKey

JAUKCFULLJFBFN-RUZDIDTESA-N

InChI

InChI=1S/C28H29NO5/c1-28(2,3)34-19-14-12-18(13-15-19)16-25(26(30)31)29-27(32)33-17-24-22-10-6-4-8-20(22)21-9-5-7-11-23(21)24/h4-15,24-25H,16-17H2,1-3H3,(H,29,32)(H,30,31)/t25-/m1/s1

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Names and synonyms

1 names

Fmoc-D-tyr(tbu)-oh

Work with (R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-(tert-butoxy)phenyl)propanoic 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

(S)-3-(4-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)phenyl)-2-((tert-butoxycarbonyl)amino)propanoic acid114346-31-574 % similar Fmoc-D-tyr-oh112883-29-173 % similar 9-Fluorenylmethyloxycarbonyl-D-Ser(t-butyl)-OH128107-47-170 % similar Fmoc-bpa-oh117666-96-368 % similar Fmoc-D-4-carbamoylphe1217610-39-368 % similar Fmoc-tyr-tyr-oh1269665-49-767 % similar Fmoc-D-aspartic acid beta-tert-butyl ester112883-39-367 % similar Fmoc-2-nal-oh112883-43-967 % similar

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

Same formula

Fmoc-L-tyr(tbu)-oh71989-38-3

Elsewhere

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