Fmoc-Cys(tert-butoxycarnylpropyl)-OH

C₂₆H₃₁NO₆SCAS 102971-73-3485.60 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid Ester Sulfide

Properties

Molecular formula: C₂₆H₃₁NO₆S
Molar mass: 485.60 g/mol
Exact mass: 485.1872 Da
logP: 4.83Crippen estimate
Polar surface area: 101.9 Å²
H-bond donors / acceptors: 2 / 6
Rotatable bonds: 10
Stereocentres: Rin SMILES atom order

Identifiers

CAS number

102971-73-3

SMILES

CC(C)(C)OC(=O)CCCSC[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13

InChIKey

YUHBERDYPBZPQD-QFIPXVFZSA-N

InChI

InChI=1S/C26H31NO6S/c1-26(2,3)33-23(28)13-8-14-34-16-22(24(29)30)27-25(31)32-15-21-19-11-6-4-9-17(19)18-10-5-7-12-20(18)21/h4-7,9-12,21-22H,8,13-16H2,1-3H3,(H,27,31)(H,29,30)/t22-/m0/s1

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Names and synonyms

1 names

(R)-Fmoc-2-amino-3-(3-tert-butoxycarbonyl-propylsulfanyl)-propionic acid

Work with Fmoc-Cys(tert-butoxycarnylpropyl)-OH

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

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

Elsewhere

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