Fmoc-D-allo-ile-oh

C21H23NO4CAS 118904-37-3353.42 g/mol

Open in Covalent MOL file
OOHNHOO
CarbamateCarboxylic acid

Properties

Molecular formula
C21H23NO4
Molar mass
353.42 g/mol
Exact mass
353.1627 Da
logP
4.02Crippen estimate
Polar surface area
75.6 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
6
Stereocentres
S, 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
118904-37-3
SMILES
CC[C@H](C)[C@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChIKey
QXVFEIPAZSXRGM-ORAYPTAESA-N
InChI
InChI=1S/C21H23NO4/c1-3-13(2)19(20(23)24)22-21(25)26-12-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,13,18-19H,3,12H2,1-2H3,(H,22,25)(H,23,24)/t13-,19+/m0/s1

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Names and synonyms

1 names
  • FMOC-D-allo-Isoleucine

Work with Fmoc-D-allo-ile-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-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-alloisoleucine251316-98-0Enantiomer N-Fmoc-L-isoleucine71989-23-6Diastereomer Fmoc-D-ile-oh143688-83-9Diastereomer

Similar compounds

Fmoc-D-valine84624-17-976 % similar (2R,3S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-hydroxybutanoic acid157355-81-273 % similar (2S)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)butanoic acid135112-27-572 % similar Fmoc-D-abu-oh170642-27-072 % similar Fmoc-3,3-diphenyl-L-alanine201484-50-667 % similar Fmoc-O-tert-butyl-D-threonine138797-71-466 % similar Fmoc-D-allo-thr(tbu)-oh170643-02-466 % similar Fmoc-allo-thr(tbu)-oh201481-37-066 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Fmoc-N-methyl-D-valine103478-58-6 tert-Butyl (2R,3S)-6-oxo-2,3-diphenylmorpholine-4-carboxylate112741-49-8 1,1-Dimethylethyl (2S,3R)-6-oxo-2,3-diphenyl-4-morpholinecarboxylate112741-50-1 Fmoc-D-nle-oh112883-41-7 (2R)-2-(((9H-Fluoren-9-ylmethoxy)carbonyl)amino)-4-methylpentanoic acid114360-54-2 (2S)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)-3,3-dimethylbutanoic acid132684-60-7 (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-2,3-dimethylbutanoic acid169566-81-8

Elsewhere

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