chempirical

(2R)-2-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-5-phenyl-4-pentenoic acid

C26H23NO4CAS 215190-23-1413.47 g/mol

Open in Covalent MOL file
OOHNHOO
AlkeneCarboxylic acid

Properties

Molecular formula
C26H23NO4
Molar mass
413.47 g/mol
Exact mass
413.1627 Da
logP
5.29Crippen estimate
Polar surface area
79.1 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
7
Stereocentres
Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
215190-23-1
SMILES
O=C(O)[C@@H](CC=Cc1ccccc1)N=C(O)OCC1c2ccccc2-c2ccccc21
InChIKey
ZFMHHKMOLFNMMV-XMMPIXPASA-N
InChI
InChI=1S/C26H23NO4/c28-25(29)24(16-8-11-18-9-2-1-3-10-18)27-26(30)31-17-23-21-14-6-4-12-19(21)20-13-5-7-15-22(20)23/h1-15,23-24H,16-17H2,(H,27,30)(H,28,29)/t24-/m1/s1

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Names and synonyms

2 names
  • 4-Pentenoic acid, 2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-5-phenyl-, (2R)-
  • (R)-2-(Fmoc-amino)-5-phenyl-4-pentenoic acid

Work with (2R)-2-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-5-phenyl-4-pentenoic acid

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-L-phenylalanine35661-40-669 % similar (2R)-3-Cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid170642-29-265 % similar (αS)-α-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]cyclopropanepropanoic acid214750-76-265 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-O-(triphenylmethyl)-L-serine111061-56-465 % similar Fmoc-L-propargylglycine198561-07-864 % similar Fmoc-leucine35661-60-064 % similar (2S)-2-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-4,4-difluorobutanoic acid467442-21-364 % similar (αR)-α-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino][1,1′-biphenyl]-4-propanoic acid205526-38-164 % similar

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

Same formula

(αS)-α-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-2,3-dihydro-1H-indene-2-acetic acid205526-39-2

Elsewhere

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