Dataset

liquid chromatography-mass spectrometry (LCMS)

Chemical Info

InChI	InChI=1S/C56H65Cl2N7O9/c1-56(2,3)74-55(73)60-29-13-14-30-62(53(70)47(59)31-40-15-7-4-8-16-40)37-50(67)65(35-44-23-27-46(58)28-24-44)39-52(69)64(33-42-19-11-6-12-20-42)38-51(68)63(34-43-21-25-45(57)26-22-43)36-49(66)61-48(54(71)72)32-41-17-9-5-10-18-41/h4-12,15-28,47-48H,13-14,29-39,59H2,1-3H3,(H,60,73)(H,61,66)(H,71,72)/t47-,48+/m1/s1
SMILES	Clc1ccc(cc1)CN(C(=O)CN(C(=O)[C@@H](Cc1ccccc1)N)CCCCNC(=O)OC(C)(C)C)CC(=O)N(CC(=O)N(CC(=O)N[C@H](C(=O)O)Cc1ccccc1)Cc1ccc(cc1)Cl)Cc1ccccc1
InChI Key	NBKXHRCJEFOTBU-QGSYYBFSSA-N
Molecular Formula	C56H65Cl2N7O9
Exact Mass	1051.063 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement

Field	Value
DOI	10.14272/NBKXHRCJEFOTBU-QGSYYBFSSA-N/CHMO0000524
License URL
Source	https://www.chemotion-repository.net/inchikey/NBKXHRCJEFOTBU-QGSYYBFSSA-N/CHMO0000524
Version
Author	Kamil Akmermer
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T03:13:18.698070
MetadataModified	2024-09-08T03:13:18.698075
MetadataPublished	2024-04-11

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables