chempirical

Fmoc-N-methyl-L-isoleucine

C22H25NO4CAS 138775-22-1367.45 g/mol

Open in Covalent MOL file
OOHNOO
CarbamateCarboxylic acid

Properties

Molecular formula
C22H25NO4
Molar mass
367.45 g/mol
Exact mass
367.1784 Da
logP
4.37Crippen estimate
Polar surface area
66.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
6
Stereocentres
S, Sin SMILES atom order

Identifiers

CAS number
138775-22-1
SMILES
CC[C@H](C)[C@@H](C(=O)O)N(C)C(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChIKey
IQIOLCJHRZWOLS-XOBRGWDASA-N
InChI
InChI=1S/C22H25NO4/c1-4-14(2)20(21(24)25)23(3)22(26)27-13-19-17-11-7-5-9-15(17)16-10-6-8-12-18(16)19/h5-12,14,19-20H,4,13H2,1-3H3,(H,24,25)/t14-,20-/m0/s1

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

Names and synonyms

1 names
  • N-(((9H-Fluoren-9-yl)methoxy)carbonyl)-N-methyl-L-isoleucine

Work with Fmoc-N-methyl-L-isoleucine

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

Fmoc-N-methyl-D-valine103478-58-678 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N-methyl-L-valine84000-11-378 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N-methyl-L-alanine84000-07-771 % similar O-(1,1-Dimethylethyl)-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-N-methyl-L-threonine117106-20-469 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N-methyl-L-norvaline252049-05-167 % similar Fmoc-D-allo-ile-oh118904-37-361 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-alloisoleucine251316-98-060 % similar N-Fmoc-L-isoleucine71989-23-660 % similar

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

Same formula

Fmoc-N-methyl-L-leucine103478-62-2 N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N-methyl-D-leucine103478-63-3 Fmoc-N-methyl-L-norleucine112883-42-8 Fmoc-7-amino-heptanoic acid127582-76-7 Fmoc-T-butyl-L-alanine139551-74-9 N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-5-methyl-L-norleucine180414-94-2 (3R,4S)-3-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-4-methylhexanoic acid193954-27-7 N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-2-methyl-L-leucine312624-65-0

Elsewhere

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