Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C56H66N10O10/c57-47(67)27-25-39-49(69)61-41(31-35-15-5-1-6-16-35)51(71)63-43(33-37-19-9-3-10-20-37)55(75)65-29-13-24-46(65)54(74)60-40(26-28-48(58)68)50(70)62-42(32-36-17-7-2-8-18-36)52(72)64-44(34-38-21-11-4-12-22-38)56(76)66-30-14-23-45(66)53(73)59-39/h1-12,15-22,39-46H,13-14,23-34H2,(H2,57,67)(H2,58,68)(H,59,73)(H,60,74)(H,61,69)(H,62,70)(H,63,71)(H,64,72)/t39-,40?,41-,42-,43-,44-,45+,46+/m0/s1
SMILES	NC(=O)CCC1NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H]2N(C(=O)[C@@H](NC(=O)[C@@H](NC1=O)Cc1ccccc1)Cc1ccccc1)CCC2)CCC(=O)N
InChI Key	BHYAUNHYQIYLTH-GHMGYCISSA-N
Molecular Formula	C56H66N10O10
Exact Mass	1039.184 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/BHYAUNHYQIYLTH-GHMGYCISSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/BHYAUNHYQIYLTH-GHMGYCISSA-N/IR
Version
Author	Stefan Bräse
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:32:47.408270
MetadataModified	2024-09-07T15:46:09.879472
MetadataPublished	2019-06-27
Related Molecule

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
No additional information available for this Dataset.