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/C32H39N5O4/c1-2-3-9-16-36-21-29(38)34-26(19-23-20-33-25-14-8-7-13-24(23)25)30(39)35-27(18-22-11-5-4-6-12-22)31(40)37-17-10-15-28(37)32(36)41/h4-8,11-14,20,26-28,33H,2-3,9-10,15-19,21H2,1H3,(H,34,38)(H,35,39)/t26-,27-,28+/m0/s1
SMILES CCCCCN1CC(=O)N[C@@H](Cc2c[nH]c3c2cccc3)C(=O)N[C@H](C(=O)N2[C@@H](C1=O)CCC2)Cc1ccccc1
InChI Key VBDUASDYCCGKQX-HZFUHODCSA-N
Molecular Formula C32H39N5O4
Exact Mass 557.683 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VBDUASDYCCGKQX-HZFUHODCSA-N/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/VBDUASDYCCGKQX-HZFUHODCSA-N/CHMO0001146
Version
Author Claudine Herlan
Maintainer Chemotion Repository
Language english
MetadataPublished 2021-09-23
Related Molecule
  • (3S,6S,12R)-3-benzyl-6-(1H-indol-3-ylmethyl)-10-pentyl-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
    156599650 PubChem
    The data in this table is sourced from UniChem at EBI.