chempirical

Fmoc-L-aspartic acid 4-benzyl ester

C26H23NO6CAS 86060-84-6445.47 g/mol

Open in Covalent MOL file
OOOOHNHOO
CarbamateCarboxylic acidEster

Properties

Molecular formula
C26H23NO6
Molar mass
445.47 g/mol
Exact mass
445.1525 Da
logP
4.11Crippen estimate
Polar surface area
101.9 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
8
Stereocentres
Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
86060-84-6
SMILES
C1=CC=C(C=C1)COC(=O)C[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChIKey
OQGAELAJEGGNKG-QHCPKHFHSA-N
InChI
InChI=1S/C26H23NO6/c28-24(32-15-17-8-2-1-3-9-17)14-23(25(29)30)27-26(31)33-16-22-20-12-6-4-10-18(20)19-11-5-7-13-21(19)22/h1-13,22-23H,14-16H2,(H,27,31)(H,29,30)/t23-/m0/s1

Weigh it out

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Work with Fmoc-L-aspartic acid 4-benzyl ester

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

4-(Phenylmethyl) hydrogen N-[(9H-fluoren-9-ylmethoxy)carbonyl]-D-aspartate150009-58-8Enantiomer

Similar compounds

Fmoc-O-benzyl-L-serine83792-48-775 % similar Fmoc-phe-oh286460-71-773 % similar Fmoc-D-phenylalanine86123-10-673 % similar Fmoc-orn(Z)-oh138775-07-272 % similar Fmoc-asp(ochex)-oh130304-80-272 % similar Fmoc-asp(oall)-oh146982-24-372 % similar Fmoc-D-asp(oall)-oh177609-12-072 % similar (R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(((benzyloxy)carbonyl)amino)butanoic acid387824-79-572 % similar

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

Same formula

Fmoc-L-aspartic acid-1-benzyl ester86060-83-5

Elsewhere

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