chempirical

Fmoc-L-valine

C20H21NO4CAS 68858-20-8339.39 g/mol

Open in Covalent MOL file
NHOOOOH
Carboxylic acid

Properties

Molecular formula
C20H21NO4
Molar mass
339.39 g/mol
Exact mass
339.1471 Da
Melting point
144–145 °C (decomposes)
logP
3.84Crippen estimate
Polar surface area
79.1 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
5
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
68858-20-8
SMILES
CC(C)[C@H](N=C(O)OCC1c2ccccc2-c2ccccc21)C(=O)O
InChIKey
UGNIYGNGCNXHTR-SFHVURJKSA-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-/m0/s1

Weigh it out

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

Names and synonyms

14 names · show all
  • L-Valine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-
  • N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-valine
  • N-(9-Fluorenylmethoxycarbonyl)-L-valine
  • N-(9-Fluorenylmethoxycarbonyl)valine
  • (9-Fluorenylmethoxycarbonyl)valine
  • (S)-N-Fmoc-valine
  • Fmoc-valine
  • NSC 334304
  • 125: PN: WO2004099237 PAGE: 36 claimed protein
  • 912: PN: WO2006135786 PAGE: 59 claimed protein
  • 221: PN: US20070042401 PAGE: 29 claimed protein
  • (S)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoic acid
  • (2S)-2-[[[(9H-Fluoren-9-yl)methoxy]carbonyl]amino]-3-methylbutanoic acid
  • Fmoc-L-val-OH

Work with Fmoc-L-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

Similar compounds

N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-alloisoleucine251316-98-076 % similar N-Fmoc-L-isoleucine71989-23-676 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-alanine35661-39-374 % similar N-(9-Fluorenylmethoxycarbonyl)-D-alanine79990-15-174 % similar (αS)-α-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-2,3-dihydro-1H-indene-2-acetic acid205526-39-272 % similar N-(9-Fluorenylmethoxycarbonyl)-O-tert-butylthreonine71989-35-072 % similar Fmoc-leucine35661-60-069 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-5-methyl-L-norleucine180414-94-267 % 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 Dicentrine517-66-8 Canadine522-97-4

Elsewhere

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