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/C30H31N5O4/c1-2-14-33-20-28(37)35-15-8-13-26(35)30(39)34(18-21-9-4-3-5-10-21)19-27(36)32-25(29(33)38)16-22-17-31-24-12-7-6-11-23(22)24/h1,3-7,9-12,17,25-26,31H,8,13-16,18-20H2,(H,32,36)/t25-,26+/m0/s1
SMILES C#CCN1CC(=O)N2CCC[C@@H]2C(=O)N(CC(=O)N[C@H](C1=O)Cc1c[nH]c2c1cccc2)Cc1ccccc1
InChI Key JNYGPFMRSWXVCE-IZZNHLLZSA-N
Molecular Formula C30H31N5O4
Exact Mass 525.598 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/JNYGPFMRSWXVCE-IZZNHLLZSA-N/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/JNYGPFMRSWXVCE-IZZNHLLZSA-N/CHMO0001146
Version
Author Claudine Herlan
Maintainer Chemotion Repository
Language english
MetadataPublished 2021-09-23
Related Molecule
  • (6S,12R)-10-benzyl-6-(1H-indol-3-ylmethyl)-4-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
    156599665 PubChem
    The data in this table is sourced from UniChem at EBI.