chempirical

Fmoc-D-ile-oh

C21H23NO4CAS 143688-83-9353.42 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
R, Rin SMILES atom order

Identifiers

CAS number
143688-83-9
SMILES
CC[C@@H](C)[C@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChIKey
QXVFEIPAZSXRGM-BFUOFWGJSA-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-/m1/s1

Weigh it out

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

Work with Fmoc-D-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

Similar compounds

(2S,3R)-3-(Benzyloxy)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)butanoic acid117872-75-065 % similar (2S,3S)-Fmoc-abu(3-N3)-oh131669-42-664 % similar Fmoc-O-trityl-L-threonine133180-01-564 % similar N-Fmoc-L-isoleucine71989-23-663 % similar Fmoc-L-phenylglycine102410-65-162 % similar Fmoc-D-phg-oh111524-95-962 % similar Fmoc-L-aspartic acid119062-05-461 % similar Fmoc-D-ser-oh116861-26-860 % 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 Fmoc-D-allo-ile-oh118904-37-3 (2S)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)-3,3-dimethylbutanoic acid132684-60-7 N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-alloisoleucine251316-98-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook