Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Information

molecular Image
InChI InChI=1S/C26H38N4O4/c1-16(2)13-19-23(31)27-20(15-18-9-6-5-7-10-18)24(32)29-21(14-17(3)4)26(34)30-12-8-11-22(30)25(33)28-19/h5-7,9-10,16-17,19-22H,8,11-15H2,1-4H3,(H,27,31)(H,28,33)(H,29,32)/t19-,20-,21-,22+/m0/s1
SMILES CC(C[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](NC1=O)Cc1ccccc1)CC(C)C)C
InChI Key DRTJVMIBTATAMG-MYGLTJDJSA-N
Molecular Formula C26H38N4O4
Exact Mass 470.604 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DRTJVMIBTATAMG-MYGLTJDJSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/DRTJVMIBTATAMG-MYGLTJDJSA-N/CHMO0000593
Version
Author Claudine Herlan
Maintainer Chemotion Repository
Language english
MetadataPublished 2021-09-23
Related Molecule
  • (3S,6S,9S,12R)-6-benzyl-3,9-bis(2-methylpropyl)-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    156599671 PubChem
    The data in this table is sourced from UniChem at EBI.