Dataset

1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

Chemical Information

molecular Image
InChI InChI=1S/C27H33N5O4/c1-3-5-13-31-18-25(34)32-14-8-11-23(32)27(36)30(12-4-2)17-24(33)29-22(26(31)35)15-19-16-28-21-10-7-6-9-20(19)21/h2,6-7,9-10,16,22-23,28H,3,5,8,11-15,17-18H2,1H3,(H,29,33)/t22-,23+/m0/s1
SMILES CCCCN1CC(=O)N2CCC[C@@H]2C(=O)N(CC(=O)N[C@H](C1=O)Cc1c[nH]c2c1cccc2)CC#C
InChI Key CWQKXDIPPKASTL-XZOQPEGZSA-N
Molecular Formula C27H33N5O4
Exact Mass 491.582 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/CWQKXDIPPKASTL-XZOQPEGZSA-N/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/CWQKXDIPPKASTL-XZOQPEGZSA-N/CHMO0001146
Version
Author Claudine Herlan
Maintainer Chemotion Repository
Language english
MetadataPublished 2021-09-23
Related Molecule
  • (6S,12R)-4-butyl-6-(1H-indol-3-ylmethyl)-10-prop-2-ynyl-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone
    • Field Value
    Measurement Technique 1H–13C heteronuclear single quantum coherence
    Measurement Variables
    Data-Source Molecule ID Data-Source
    156599667 PubChem
    The data in this table is sourced from UniChem at EBI.