S-[(Acetylamino)methyl]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-cysteine

C21H22N2O5SCAS 86060-81-3414.48 g/mol

Open in Covalent MOL file
OHNSNHOOOOH
Carboxylic acidSulfide

Properties

Molecular formula
C21H22N2O5S
Molar mass
414.48 g/mol
Exact mass
414.1249 Da
logP
3.85Crippen estimate
Polar surface area
111.7 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
8
Stereocentres
Rin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
86060-81-3
SMILES
CC(O)=NCSC[C@H](N=C(O)OCC1c2ccccc2-c2ccccc21)C(=O)O
InChIKey
CSMYOORPUGPKAP-IBGZPJMESA-N
InChI
InChI=1S/C21H22N2O5S/c1-13(24)22-12-29-11-19(20(25)26)23-21(27)28-10-18-16-8-4-2-6-14(16)15-7-3-5-9-17(15)18/h2-9,18-19H,10-12H2,1H3,(H,22,24)(H,23,27)(H,25,26)/t19-/m0/s1

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Names and synonyms

5 names
  • L-Cysteine, S-[(acetylamino)methyl]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-
  • N-(((9H-Fluoren-9-yl)methoxy)carbonyl)-S-(acetamidomethyl)-L-cysteine
  • (2R)-3-[(Acetamidomethyl)sulfanyl]-2-([[(9H-fluoren-9-yl)methoxy]carbonyl]amino)propanoic acid
  • (2R)-3-(Acetamidomethylsulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
  • S-((Acetylamino)methyl)-N-((9H-fluoren-9-ylmethoxy)carbonyl)-L-cysteine

Work with S-[(Acetylamino)methyl]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-cysteine

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

L-Cysteine, S-[(acetylamino)methyl]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, pentafluorophenyl ester86060-96-071 % similar 3-((1,1-Dimethylethyl)dithio)-N-((9H-fluoren-9-ylmethoxy)carbonyl)-L-alanine73724-43-365 % similar N-((9H-Fluoren-9-ylmethoxy)carbonyl)-S-(triphenylmethyl)-L-cysteine103213-32-763 % similar Fmoc-leucine35661-60-063 % similar D-Fmoc-methionine112883-40-662 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-methionine71989-28-162 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-5-methyl-L-norleucine180414-94-262 % similar (2R)-3-Cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid170642-29-261 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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