(S)-N-Fmoc-2-thienylalanine

C₂₂H₁₉NO₄SCAS 130309-35-2393.46 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: Sin SMILES atom order

Identifiers

CAS number

130309-35-2

SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CC4=CC=CS4)C(=O)O

InChIKey

PXBMQFMUHRNKTG-FQEVSTJZSA-N

InChI

InChI=1S/C22H19NO4S/c24-21(25)20(12-14-6-5-11-28-14)23-22(26)27-13-19-17-9-3-1-7-15(17)16-8-2-4-10-18(16)19/h1-11,19-20H,12-13H2,(H,23,26)(H,24,25)/t20-/m0/s1

Weigh it out

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

Names and synonyms

1 names

Fmoc-L-2-thienylalanine

Work with (S)-N-Fmoc-2-thienylalanine

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-ser-oh116861-26-867 % similar Fmoc-D-tyr-oh112883-29-167 % similar Fmoc-L-aspartic acid119062-05-465 % similar Fmoc-2-nal-oh112883-43-964 % similar Fmoc-D-asn-OH108321-39-764 % similar (2R)-2-(((9H-Fluoren-9-ylmethoxy)carbonyl)amino)-4-methylpentanoic acid114360-54-264 % similar Fmoc-L-homophenylalanine132684-59-464 % similar Fmoc-bpa-oh117666-96-363 % similar

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

Elsewhere

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