chempirical

Fmoc-D-valine

C20H21NO4CAS 84624-17-9339.39 g/mol

Open in Covalent MOL file
OOHNHOO
CarbamateCarboxylic acid

Properties

Molecular formula
C20H21NO4
Molar mass
339.39 g/mol
Exact mass
339.1471 Da
logP
3.63Crippen estimate
Polar surface area
75.6 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
5
Stereocentres
Rin 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
84624-17-9
SMILES
CC(C)[C@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChIKey
UGNIYGNGCNXHTR-GOSISDBHSA-N
InChI
InChI=1S/C20H21NO4/c1-12(2)18(19(22)23)21-20(24)25-11-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10,12,17-18H,11H2,1-2H3,(H,21,24)(H,22,23)/t18-/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with Fmoc-D-valine

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-L-valine68858-20-8Enantiomer

Similar compounds

(2R,3S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-hydroxybutanoic acid157355-81-279 % similar Fmoc-D-allo-ile-oh118904-37-376 % similar Fmoc-D-ile-oh143688-83-976 % similar Fmoc-3,3-diphenyl-L-alanine201484-50-673 % similar Fmoc-chg-oh161321-36-471 % similar Fmoc-D-chg-oh198543-96-371 % similar Fmoc-O-tert-butyl-D-threonine138797-71-471 % similar Fmoc-D-allo-thr(tbu)-oh170643-02-471 % similar

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

Same formula

Fmoc-5-aminopentanoic acid123622-48-0 Fmoc-L-norvaline135112-28-6 (2R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)pentanoic acid144701-24-6 (3R,4S)-1-Benzoyl-3-(1-ethoxyethoxy)-4-phenyl-2-azetidinone201856-53-3 Dicentrine517-66-8 Canadine522-97-4 N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-isovaline857478-30-9

Elsewhere

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