Fmoc-D-asp(oall)-oh

C22H21NO6CAS 177609-12-0395.41 g/mol

Open in Covalent MOL file
OOOOHNHOO
AlkeneCarbamateCarboxylic acidEster

Properties

Molecular formula
C22H21NO6
Molar mass
395.41 g/mol
Exact mass
395.1369 Da
logP
3.10Crippen estimate
Polar surface area
101.9 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
8
Stereocentres
Rin SMILES atom order

Hazards

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

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Identifiers

CAS number
177609-12-0
SMILES
C=CCOC(=O)C[C@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChIKey
FBNFRRNBFASDKS-LJQANCHMSA-N
InChI
InChI=1S/C22H21NO6/c1-2-11-28-20(24)12-19(21(25)26)23-22(27)29-13-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h2-10,18-19H,1,11-13H2,(H,23,27)(H,25,26)/t19-/m1/s1

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Work with Fmoc-D-asp(oall)-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

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.

Fmoc-asp(oall)-oh146982-24-3Enantiomer

Similar compounds

Fmoc-glu(oall)-oh133464-46-782 % similar Fmoc-dap(aloc)-oh188970-92-575 % similar (R)-N-Fmoc-allylglycine170642-28-174 % similar Fmoc-orn(aloc)-oh147290-11-773 % similar Fmoc-lys(aloc)-oh146982-27-672 % similar N-Alpha-allyloxycarbonyl-N-epsilon-(9-fluorenylmethyloxycarbonyl)-L-lysine186350-56-172 % similar Fmoc-L-aspartic acid 4-benzyl ester86060-84-672 % similar (S)-N-Fmoc-2-(3'-butenyl)glycine851909-08-571 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Fmoc-asp-oall144120-53-6

Elsewhere

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