(2S,3R)-3-(N-Benzyloxycarbonyl)amino-1-chloro-4-phenylthiobutan-2-ol

C18H20ClNO3SCAS 159878-02-1365.87 g/mol

Open in Covalent MOL file
ONHSOHClO
AlcoholAlkyl halideSulfide

Properties

Molecular formula
C18H20ClNO3S
Molar mass
365.87 g/mol
Exact mass
365.0852 Da
logP
3.88Crippen estimate
Polar surface area
62.0 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
8
Stereocentres
R, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
159878-02-1
SMILES
OC(=N[C@@H](CSc1ccccc1)[C@H](O)CCl)OCc1ccccc1
InChIKey
YMCLVAZUQJPLTE-DLBZAZTESA-N
InChI
InChI=1S/C18H20ClNO3S/c19-11-17(21)16(13-24-15-9-5-2-6-10-15)20-18(22)23-12-14-7-3-1-4-8-14/h1-10,16-17,21H,11-13H2,(H,20,22)/t16-,17+/m0/s1

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Names and synonyms

5 names
  • Carbamic acid, N-[(1R,2S)-3-chloro-2-hydroxy-1-[(phenylthio)methyl]propyl]-, phenylmethyl ester
  • Carbamic acid, [3-chloro-2-hydroxy-1-[(phenylthio)methyl]propyl]-, phenylmethyl ester, [S-(R*,S*)]-
  • Carbamic acid, [(1R,2S)-3-chloro-2-hydroxy-1-[(phenylthio)methyl]propyl]-, phenylmethyl ester
  • (2S,3R)-1-Chloro-2-hydroxy-3-[(benzyloxycarbonyl)amino]-4-(phenylthio)butane
  • (2S,3R)-(-)-3-(Benzyloxycarbonylamino)-1-chloro-4-phenylthiobutan-2-ol

Work with (2S,3R)-3-(N-Benzyloxycarbonyl)amino-1-chloro-4-phenylthiobutan-2-ol

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Similar compounds

(R)-2-(((Benzyloxy)carbonyl)amino)-3-(phenylthio)propanoic acid159453-24-458 % similar 1,1-Dimethylethyl N-[(1S,2R)-3-chloro-2-hydroxy-1-(phenylmethyl)propyl]carbamate162536-40-552 % similar 1,1-Dimethylethyl N-[(1S,2S)-3-chloro-2-hydroxy-1-(phenylmethyl)propyl]carbamate165727-45-752 % similar Phenylmethyl N-[(3aS,4R,6S,6aR)-tetrahydro-6-hydroxy-2,2-dimethyl-4H-cyclopenta-1,3-dioxol-4-yl]carbamate274693-53-750 % similar N,N′-Bis[(phenylmethoxy)carbonyl]-L-cystine6968-11-247 % similar Benzyl N-hydroxycarbamate3426-71-947 % similar N-[(Phenylmethoxy)carbonyl]-S-(phenylmethyl)-L-cysteine3257-18-945 % similar Benzyloxycarbonyl-L-aspartic acid1152-61-044 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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