Dataset

high-performance liquid chromatography (HPLC)

dataset for high-performance liquid chromatography (HPLC)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C79H82Cl3N9O8/c1-5-86(6-2)62-37-39-66-70(45-62)99-71-46-63(87(7-3)8-4)38-40-67(71)76(66)64-23-15-16-24-65(64)77(96)83-41-17-18-42-88-51-73(93)90(48-57-27-33-60(81)34-28-57)53-75(95)91(49-58-29-35-61(82)36-30-58)52-74(94)89(47-56-25-31-59(80)32-26-56)50-72(92)84-68(43-54-19-11-9-12-20-54)78(97)85-69(79(88)98)44-55-21-13-10-14-22-55/h9-16,19-40,45-46,68-69H,5-8,17-18,41-44,47-53H2,1-4H3,(H2-,83,84,85,92,96,97)/p+1/t68-,69-/m0/s1
SMILES CCN(c1ccc2c(c1)oc1-c(c2c2ccccc2C(=O)NCCCCN2CC(=O)N(Cc3ccc(cc3)Cl)CC(=O)N(Cc3ccc(cc3)Cl)CC(=O)N(CC(=O)N[C@H](C(=O)N[C@H](C2=O)Cc2ccccc2)Cc2ccccc2)Cc2ccc(cc2)Cl)ccc(=[N+](CC)CC)c1)CC
InChI Key FEQCZNDPHQECCU-NNAPYRDBSA-O
Molecular Formula C79H83Cl3N9O8+
Exact Mass 1392.919 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/FEQCZNDPHQECCU-NNAPYRDBSA-O/CHMO0001009
License URL
Source https://www.chemotion-repository.net/inchikey/FEQCZNDPHQECCU-NNAPYRDBSA-O/CHMO0001009
Version
Author Claudine Herlan
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T04:38:45.994024
MetadataModified 2024-09-07T19:54:21.256719
MetadataPublished 2021-05-26
Field Value
Measurement Technique high-performance liquid chromatography
Measurement Variables
Data-Source Molecule ID Data-Source
155919835 PubChem
The data in this table is sourced from UniChem at EBI.