Fmoc-D-dap(boc)-oh

C23H26N2O6CAS 198544-42-2426.47 g/mol

Open in Covalent MOL file
OOHNOOHNHOO
CarbamateCarboxylic acid

Properties

Molecular formula
C23H26N2O6
Molar mass
426.47 g/mol
Exact mass
426.1791 Da
logP
3.50Crippen estimate
Polar surface area
114.0 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
6
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
198544-42-2
SMILES
CC(C)(C)OC(=O)NC[C@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChIKey
PKAUMAVONPSDRW-LJQANCHMSA-N
InChI
InChI=1S/C23H26N2O6/c1-23(2,3)31-21(28)24-12-19(20(26)27)25-22(29)30-13-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,18-19H,12-13H2,1-3H3,(H,24,28)(H,25,29)(H,26,27)/t19-/m1/s1

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Names and synonyms

1 names
  • 3-((tert-Butoxy(hydroxy)methylidene)amino)-N-(((9H-fluoren-9-yl)methoxy)(hydroxy)methylidene)alanine

Work with Fmoc-D-dap(boc)-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.

N-Fmoc-N'-boc-L-2,3-diaminopropionic acid162558-25-0Enantiomer

Similar compounds

Fmoc-dab(boc)-oh125238-99-582 % similar Fmoc-dap(fmoc)-oh201473-90-780 % similar Fmoc-D-orn(boc)-oh118476-89-479 % similar (2R)-6-(((tert-Butoxy)carbonyl)amino)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)hexanoic acid92122-45-778 % similar Boc-L-2,4-diaminobutyric acid(fmoc)117106-21-577 % similar Fmoc-D-aspartic acid beta-tert-butyl ester112883-39-376 % similar Boc-asp(ofm)-oh117014-32-176 % similar Boc-orn(fmoc)-oh150828-96-974 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Boc-dap(fmoc)-oh122235-70-5 N-[(1,1-Dimethylethoxy)carbonyl]-3-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-D-alanine131570-56-4 N2-[(1,1-Dimethylethoxy)carbonyl]-N-9H-xanthen-9-yl-L-glutamine55260-24-7

Elsewhere

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