chempirical

N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-alloisoleucine

C21H23NO4CAS 251316-98-0353.42 g/mol

Open in Covalent MOL file
NHOOOOH
Carboxylic acid

Properties

Molecular formula
C21H23NO4
Molar mass
353.42 g/mol
Exact mass
353.1627 Da
logP
4.23Crippen estimate
Polar surface area
79.1 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
6
Stereocentres
R, Sin SMILES atom order

Identifiers

CAS number
251316-98-0
SMILES
CC[C@@H](C)[C@H](N=C(O)OCC1c2ccccc2-c2ccccc21)C(=O)O
InChIKey
QXVFEIPAZSXRGM-YJYMSZOUSA-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

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Names and synonyms

2 names
  • L-Alloisoleucine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-
  • Fmoc-L-allo-Ile-OH

Work with N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-alloisoleucine

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

N-Fmoc-L-isoleucine71989-23-6100 % similar Fmoc-L-valine68858-20-876 % similar (3R,4S)-3-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-4-methylhexanoic acid193954-27-769 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-alanine35661-39-369 % similar N-(9-Fluorenylmethoxycarbonyl)-D-alanine79990-15-169 % similar (αS)-α-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-2,3-dihydro-1H-indene-2-acetic acid205526-39-267 % similar N-(9-Fluorenylmethoxycarbonyl)-O-tert-butylthreonine71989-35-067 % similar N-[(Phenylmethoxy)carbonyl]-L-isoleucine3160-59-666 % 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]-N-methyl-L-norvaline252049-05-1

Elsewhere

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