Pirlimycin

enlarge

Systematic / IUPAC Name: Methyl (5R)-5-[(1S,2S)-2-chloro-1-({[(2S,4R)-4-ethyl-2-piperidinyl]carbonyl}amino)propyl]-1-thio-β-L-arabinopyranoside

ID: Reference7168

Other Names: (2S,4R)-N-{(1S,2S)-2-Chloro-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl}-4-ethylpiperidine-2-carboxamide ;
L-Threo-α-galacto-octopyranoside, methyl 7-chloro-6,7,8-trideoxy-6-({[(2S,4R)-4-ethyl-2-piperidinyl]carbonyl}amino)-1-thio- ;
L-Threo-α-galacto-octopyranoside, methyl 7-chloro-6,7,8-trideoxy-6-{[(4-ethyl-2-piperidinyl)carbonyl]amino}-1-thio-, (2S-cis-)-

Formula: C17H31ClN2O5S

Spectral Data

Pirlimycin mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 12/12/2017 1:36:33 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C17H31ClN2O5S/c1-4-9-5-6-19-10(7-9)16(24)20-11(8(2)18)15-13(22)12(21)14(23)17(25-15)26-3/h8-15,17,19,21-23H,4-7H2,1-3H3,(H,20,24)/t8-,9+,10-,11+,12-,13+,14+,15+,17+/m0/s1
InChI Key HBJOXQRURQPDEX-MHXMMLMNSA-N
Canonical SMILES CCC1CCNC(C1)C(=O)NC(C2C(C(C(C(O2)SC)O)O)O)C(C)Cl
CAS 79548735
Splash
Other Names (2S,4R)-N-{(1S,2S)-2-Chloro-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl}-4-ethylpiperidine-2-carboxamide ;
L-Threo-α-galacto-octopyranoside, methyl 7-chloro-6,7,8-trideoxy-6-({[(2S,4R)-4-ethyl-2-piperidinyl]carbonyl}amino)-1-thio- ;
L-Threo-α-galacto-octopyranoside, methyl 7-chloro-6,7,8-trideoxy-6-{[(4-ethyl-2-piperidinyl)carbonyl]amino}-1-thio-, (2S-cis-)-

In Other Databases

ChemIDPlus 079548735
ChEMBL CHEMBL1652611
KEGG D08391
Wikipedia Pirlimycin
ChemSpider 138508
PubChem 157385