(R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(thiophen-3-yl)propanoic acid

C₂₂H₁₉NO₄SCAS 220497-90-5393.46 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid

Properties

Molecular formula: C₂₂H₁₉NO₄S
Molar mass: 393.46 g/mol
Exact mass: 393.1035 Da
logP: 4.28Crippen estimate
Polar surface area: 75.6 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 6
Stereocentres: Rin SMILES atom order

Identifiers

CAS number

220497-90-5

SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@H](CC4=CSC=C4)C(=O)O

InChIKey

LSBZJMRHROCYGY-HXUWFJFHSA-N

InChI

InChI=1S/C22H19NO4S/c24-21(25)20(11-14-9-10-28-13-14)23-22(26)27-12-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-10,13,19-20H,11-12H2,(H,23,26)(H,24,25)/t20-/m1/s1

Weigh it out

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

Names and synonyms

1 names

Fmoc-D-3-thienylalanine

Work with (R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(thiophen-3-yl)propanoic 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-D-tyr-oh112883-29-172 % similar Fmoc-3-(4-pyridyl)-L-alanine169555-95-771 % similar Fmoc-L-4,4'-biphenylalanine199110-64-071 % similar Fmoc-D-4-pyridylalanine205528-30-971 % similar Fmoc-D-4-chlorophe142994-19-270 % similar Fmoc-L-4-fluorophe169243-86-170 % similar (S)-N-Fmoc-4-chlorophenylalanine175453-08-470 % similar (S)-N-Fmoc-4-bromophenylalanine198561-04-570 % similar

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

Same formula

(S)-N-Fmoc-2-thienylalanine130309-35-2 (S)-N-Fmoc-3-thienylalanine186320-06-9 Fmoc-D-2-thienylalanine201532-42-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook