(S)-N-(9-Fluorenylmethyloxycarbonyl)-2,2-dimethyl-thiazolidine-L-4-carboxylic acid

C₂₁H₂₁NO₄SCAS 873842-06-9383.46 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid Sulfide

Properties

Molecular formula: C₂₁H₂₁NO₄S
Molar mass: 383.46 g/mol
Exact mass: 383.1191 Da
logP: 4.17Crippen estimate
Polar surface area: 66.8 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 3
Stereocentres: Rin SMILES atom order

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number

873842-06-9

SMILES

CC1(N([C@@H](CS1)C(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C

InChIKey

UPFXVBZXMLAMDX-SFHVURJKSA-N

InChI

InChI=1S/C21H21NO4S/c1-21(2)22(18(12-27-21)19(23)24)20(25)26-11-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10,17-18H,11-12H2,1-2H3,(H,23,24)/t18-/m0/s1

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Names and synonyms

1 names

(R)-3-((9H-Fluoren-9-ylmethoxy)carbonyl)-2,2-dimethylthiazolidine-4-carboxylic Acid

Work with (S)-N-(9-Fluorenylmethyloxycarbonyl)-2,2-dimethyl-thiazolidine-L-4-carboxylic 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

(-)-(R)-Fmoc-4-thiazolidinecarboxylic acid423719-54-461 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N-methyl-L-norvaline252049-05-160 % similar N-Fmoc-N-methyl-O-tert-butyl-L-serine197632-77-260 % similar (S)-N-Fmoc-azetidine-2-carboxylic acid136552-06-259 % similar (4S)-1-Fmoc-4-methyl-L-proline1228577-03-458 % similar Fmoc-hyp(tbu)-oh122996-47-857 % similar (2S,4S)-4-(tert-Butoxy)-1-[(9H-fluoren-9-ylmethoxy)carbonyl]pyrrolidine-2-carboxylic acid464193-92-857 % similar (2R)-1-((9H-Fluoren-9-ylmethoxy)carbonyl)pyrrolidine-2-carboxylic acid101555-62-857 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

S-(9H-Fluoren-9-ylmethyl)-N-[(2-propen-1-yloxy)carbonyl]-L-cysteine182201-77-0 Benzhydryl 6,6-dihydropenicillic acid 1-oxide[tazobactam intermediate]87579-78-0

Elsewhere

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