Dataset

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

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

Chemical Info

molecular Image
InChI InChI=1S/C27H36N4O4/c1-2-15-29-18-24(32)28-22(17-20-10-5-3-6-11-20)26(34)31(21-12-7-4-8-13-21)19-25(33)30-16-9-14-23(30)27(29)35/h2-3,5-6,10-11,21-23H,1,4,7-9,12-19H2,(H,28,32)/t22-,23+/m0/s1
SMILES C=CCN1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N(CC(=O)N2[C@@H](C1=O)CCC2)C1CCCCC1
InChI Key QVAADPPLQSWGQE-XZOQPEGZSA-N
Molecular Formula C27H36N4O4
Exact Mass 480.599 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QVAADPPLQSWGQE-XZOQPEGZSA-N/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/QVAADPPLQSWGQE-XZOQPEGZSA-N/CHMO0001146
Version
Author Claudine Herlan
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-06-12
Related Molecule
  • (6S,12R)-6-benzyl-4-cyclohexyl-10-prop-2-enyl-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
    146170771 PubChem
    The data in this table is sourced from UniChem at EBI.