chempirical

Fmoc-P-carboxy-phe(otbu)-oh

C29H29NO6CAS 183070-44-2487.55 g/mol

Open in Covalent MOL file
OOOOHNHOO
CarbamateCarboxylic acidEster

Properties

Molecular formula
C29H29NO6
Molar mass
487.55 g/mol
Exact mass
487.1995 Da
logP
5.18Crippen estimate
Polar surface area
101.9 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
7
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
183070-44-2
SMILES
CC(C)(C)OC(=O)C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChIKey
GQIVAZYTLZQGHT-VWLOTQADSA-N
InChI
InChI=1S/C29H29NO6/c1-29(2,3)36-27(33)19-14-12-18(13-15-19)16-25(26(31)32)30-28(34)35-17-24-22-10-6-4-8-20(22)21-9-5-7-11-23(21)24/h4-15,24-25H,16-17H2,1-3H3,(H,30,34)(H,31,32)/t25-/m0/s1

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Work with Fmoc-P-carboxy-phe(otbu)-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-D-phe(4-NHBoc)-OH214750-77-377 % similar (S)-3-(4-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)phenyl)-2-((tert-butoxycarbonyl)amino)propanoic acid114346-31-576 % similar Boc-D-phe(4-nhfmoc)-oh173054-11-076 % similar (R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-(tert-butoxy)phenyl)propanoic acid118488-18-975 % similar Fmoc-4-[2-(boc-amino)ethoxy]-L-phenylalanine1013883-02-771 % similar Fmoc-bpa-oh117666-96-370 % similar Fmoc-D-4-carbamoylphe1217610-39-370 % similar Fmoc-phe-oh286460-71-770 % similar

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

Elsewhere

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