Fmoc-(S)-3-amino-4-(4-chloro-phenyl)-butyric acid
Properties
- Molecular formula
- C25H22ClNO4
- Molar mass
- 435.90 g/mol
- Exact mass
- 435.1237 Da
- logP
- 5.26Crippen estimate
- Polar surface area
- 75.6 Ų
- H-bond donors / acceptors
- 2 / 3
- Rotatable bonds
- 7
- Stereocentres
- Sin SMILES atom order
Identifiers
CAS number
270596-43-5SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CC4=CC=C(C=C4)Cl)CC(=O)OInChIKey
FMGGSUXYRDKFJX-SFHVURJKSA-NInChI
InChI=1S/C25H22ClNO4/c26-17-11-9-16(10-12-17)13-18(14-24(28)29)27-25(30)31-15-23-21-7-3-1-5-19(21)20-6-2-4-8-22(20)23/h1-12,18,23H,13-15H2,(H,27,30)(H,28,29)/t18-/m0/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- (S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(4-chlorophenyl)butanoic acid
Work with Fmoc-(S)-3-amino-4-(4-chloro-phenyl)-butyric acid
Similar compounds
Fmoc-L-beta-homophenylalanine193954-28-884 % similar
Fmoc-(R)-3-amino-4-(3,4-dichloro-phenyl)-butyric acid269396-57-879 % similar
Fmoc-(S)-3-amino-4-(3,4-dichloro-phenyl)-butyric acid270063-52-079 % similar
Fmoc-(R)-3-amino-4-(4-methyl-phenyl)-butyric acid269398-86-978 % similar
Fmoc-(S)-3-amino-4-(4-fluoro-phenyl)-butyric acid270062-83-478 % similar
Fmoc-(R)-3-amino-4-(2-naphthyl)-butyric acid269398-91-674 % similar
Fmoc-(S)-3-amino-4-(2-naphthyl)-butyric acid270063-40-674 % similar
Fmoc-(S)-3-amino-4-(3-fluoro-phenyl)-butyric acid270596-52-674 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds