3-[(1,1-Dimethylethyl)dithio]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-alanine

C₂₂H₂₅NO₄S₂CAS 73724-43-3431.57 g/mol

Open in Covalent MOL file

Carboxylic acid Disulfide

Properties

Molecular formula: C₂₂H₂₅NO₄S₂
Molar mass: 431.57 g/mol
Exact mass: 431.1225 Da
logP: 5.36Crippen estimate
Polar surface area: 79.1 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 7
Stereocentres: Rin SMILES atom order

Identifiers

CAS number

73724-43-3

SMILES

CC(C)(C)SSC[C@H](N=C(O)OCC1c2ccccc2-c2ccccc21)C(=O)O

InChIKey

ZDUMTHLUTJOUML-IBGZPJMESA-N

InChI

InChI=1S/C22H25NO4S2/c1-22(2,3)29-28-13-19(20(24)25)23-21(26)27-12-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,18-19H,12-13H2,1-3H3,(H,23,26)(H,24,25)/t19-/m0/s1

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Names and synonyms

3 names

L-Alanine, 3-[(1,1-dimethylethyl)dithio]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-
N-α-Fmoc-S-t-butylthio-L-cysteine
(2R)-3-(tert-Butyldisulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid

Work with 3-[(1,1-Dimethylethyl)dithio]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-alanine

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

N-(9-Fluorenylmethoxycarbonyl)-O-tert-butylserine71989-33-868 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-S-(triphenylmethyl)-L-cysteine103213-32-768 % similar Fmoc-leucine35661-60-065 % similar S-[(Acetylamino)methyl]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-cysteine86060-81-365 % similar D-Fmoc-methionine112883-40-664 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-methionine71989-28-164 % similar Fmoc-L-asp(otbu)-oh71989-14-564 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-5-methyl-L-norleucine180414-94-264 % similar

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

Elsewhere

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