chempirical

Fmoc-bpa-oh

C31H25NO5CAS 117666-96-3491.54 g/mol

Open in Covalent MOL file
OOOHNHOO
CarbamateCarboxylic acidKetone

Properties

Molecular formula
C31H25NO5
Molar mass
491.54 g/mol
Exact mass
491.1733 Da
logP
5.45Crippen estimate
Polar surface area
92.7 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
8
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
117666-96-3
SMILES
C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C[C@@H](C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChIKey
SYOBJKCXNRQOGA-NDEPHWFRSA-N
InChI
InChI=1S/C31H25NO5/c33-29(21-8-2-1-3-9-21)22-16-14-20(15-17-22)18-28(30(34)35)32-31(36)37-19-27-25-12-6-4-10-23(25)24-11-5-7-13-26(24)27/h1-17,27-28H,18-19H2,(H,32,36)(H,34,35)/t28-/m0/s1

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Work with Fmoc-bpa-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-4-carbamoylphe1217610-39-378 % similar Fmoc-D-tyr-oh112883-29-177 % similar Fmoc-tyr-tyr-oh1269665-49-771 % similar Fmoc-2-nal-oh112883-43-970 % similar (R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-(tert-butoxy)phenyl)propanoic acid118488-18-968 % similar Fmoc-L-homophenylalanine132684-59-467 % similar Boc-D-bpa-oh117666-94-167 % similar Fmoc-D-ser-oh116861-26-865 % similar

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

Same formula

4-Benzoyl-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-D-phenylalanine117666-97-4

Elsewhere

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