Ingliforib

enlarge

Systematic / IUPAC Name: 5-Chloro-N-{(2S,3R)-4-[(3R,4S)-3,4-dihydroxy-1-pyrrolidinyl]-3-hydroxy-4-oxo-1-phenyl-2-butanyl}-1H-indole-2-carboxamide

ID: Reference2951

Other Names: {R-[R*,S*-(cis-)]}-5-Chloro-N-[3-(3,4-dihydroxy-1-pyrrolidinyl)-2-hydroxy-3-oxo-1-(phenylmethyl)propyl]-1H-indole-2-carboxamide ;
1H-Indole-2-carboxamide, 5-chloro-N-{(1S,2R)-3-[(3R,4S)-3,4-dihydroxy-1-pyrrolidinyl]-2-hydroxy-3-oxo-1-(phenylmethyl)propyl}-

Formula: C23H24ClN3O5

Spectral Data

Ingliforib 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 4
No. of Spectra 331
Tandem Spectra MS1, MS2
Ionization Methods ESI; APCI
Analyzers FT
Last Modification 7/29/2015 7:50:23 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C23H24ClN3O5/c24-15-6-7-16-14(9-15)10-18(25-16)22(31)26-17(8-13-4-2-1-3-5-13)21(30)23(32)27-11-19(28)20(29)12-27/h1-7,9-10,17,19-21,25,28-30H,8,11-12H2,(H,26,31)/t17-,19-,20+,21+/m0/s1
InChI Key GVDRRZOORHCTAN-MJUUVYJYSA-N
Canonical SMILES C1C(C(CN1C(=O)C(C(CC2=CC=CC=C2)NC(=O)C3=CC4=C(N3)C=CC(=C4)Cl)O)O)O
CAS 186392654
Splash
Other Names {R-[R*,S*-(cis-)]}-5-Chloro-N-[3-(3,4-dihydroxy-1-pyrrolidinyl)-2-hydroxy-3-oxo-1-(phenylmethyl)propyl]-1H-indole-2-carboxamide ;
1H-Indole-2-carboxamide, 5-chloro-N-{(1S,2R)-3-[(3R,4S)-3,4-dihydroxy-1-pyrrolidinyl]-2-hydroxy-3-oxo-1-(phenylmethyl)propyl}-

In Other Databases

KEGG D04537
ChEMBL CHEMBL2104888
ChemSpider 4953797
PubChem 6451325
ChemIDPlus 186392654