(2S)-2-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-4-(methylsulfinyl)butanoic acid

C20H21NO5SCAS 76265-70-8387.45 g/mol

Open in Covalent MOL file
SONHOOOOH
Carboxylic acidSulfoxide

Properties

Molecular formula
C20H21NO5S
Molar mass
387.45 g/mol
Exact mass
387.1140 Da
logP
2.95Crippen estimate
Polar surface area
96.2 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
7
Stereocentres
Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from the 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
76265-70-8
SMILES
CS(=O)CC[C@H](N=C(O)OCC1c2ccccc2-c2ccccc21)C(=O)O
InChIKey
CEHRSUBRZOGRSW-HSYKDVHTSA-N
InChI
InChI=1S/C20H21NO5S/c1-27(25)11-10-18(19(22)23)21-20(24)26-12-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,17-18H,10-12H2,1H3,(H,21,24)(H,22,23)/t18-,27?/m0/s1

Weigh it out

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

Names and synonyms

3 names
  • Butanoic acid, 2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-4-(methylsulfinyl)-, (2S)-
  • (2S)-2-([[(9H-Fluoren-9-yl)methoxy]carbonyl]amino)-4-methanesulfinylbutanoic acid
  • (2S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(methylsulfinyl)butanoic acid

Work with (2S)-2-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-4-(methylsulfinyl)butanoic 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

N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-5-methyl-L-norleucine180414-94-271 % similar D-Fmoc-methionine112883-40-668 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-methionine71989-28-168 % similar (2R)-3-Cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid170642-29-267 % similar (2S)-3-Cyclopropyl-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)propanoic acid214750-76-267 % similar 5-Methyl hydrogen N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-glutamate145038-50-267 % similar Fmoc-leucine35661-60-066 % similar N2-[(9H-Fluoren-9-ylmethoxy)carbonyl]-D-glutamine112898-00-766 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook