Dataset

1H--1H correlation spectroscopy (1H-1H COSY)

dataset for 1H--1H correlation spectroscopy (1H-1H COSY)

Chemical Information

molecular Image
InChI InChI=1S/C35H38Cl2N6O4/c36-26-12-8-23(9-13-26)19-42-21-32(44)40-30(7-3-4-16-38)34(46)41-31(17-25-18-39-29-6-2-1-5-28(25)29)35(47)43(22-33(42)45)20-24-10-14-27(37)15-11-24/h1-2,5-6,8-15,18,30-31,39H,3-4,7,16-17,19-22,38H2,(H,40,44)(H,41,46)/t30-,31-/m0/s1
SMILES NCCCC[C@@H]1NC(=O)CN(Cc2ccc(cc2)Cl)C(=O)CN(C(=O)[C@@H](NC1=O)Cc1c[nH]c2c1cccc2)Cc1ccc(cc1)Cl
InChI Key LZOOZTYMUCAXSV-CONSDPRKSA-N
Molecular Formula C35H38Cl2N6O4
Exact Mass 677.620 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LZOOZTYMUCAXSV-CONSDPRKSA-N/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/LZOOZTYMUCAXSV-CONSDPRKSA-N/CHMO0001150
Version
Author Claudine Herlan
Maintainer Chemotion Repository
Language english
MetadataPublished 2021-05-26
Related Molecule
  • (3S,6S)-6-(4-aminobutyl)-1,10-bis[(4-chlorophenyl)methyl]-3-(1H-indol-3-ylmethyl)-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone
    • Field Value
    Measurement Technique 1H–1H correlation spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    155919840 PubChem
    The data in this table is sourced from UniChem at EBI.