Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C52H65N3O10/c1-30(2)35-25-24-31(3)26-42(35)64-48(58)38-29-40(50(60)63-8)54(45(38)34-22-16-11-17-23-34)47(57)37-28-41(51(61)65-52(4,5)6)55(44(37)33-20-14-10-15-21-33)46(56)36-27-39(49(59)62-7)53-43(36)32-18-12-9-13-19-32/h9-23,30-31,35-45,53H,24-29H2,1-8H3/t31-,35+,36+,37-,38+,39+,40+,41-,42-,43+,44-,45+/m1/s1
SMILES	COC(=O)[C@@H]1C[C@@H]([C@@H](N1C(=O)[C@@H]1C[C@@H](N([C@@H]1c1ccccc1)C(=O)[C@H]1C[C@H](N[C@H]1c1ccccc1)C(=O)OC)C(=O)OC(C)(C)C)c1ccccc1)C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C
InChI Key	AWNKBYRQVUJHIK-SPQHLZQPSA-N
Molecular Formula	C52H65N3O10
Exact Mass	892.087 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/AWNKBYRQVUJHIK-SPQHLZQPSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/AWNKBYRQVUJHIK-SPQHLZQPSA-N/IR
Version
Author	Yu-Chieh Huang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:19:51.960491
MetadataModified	2024-09-07T15:26:54.634757
MetadataPublished	2019-06-27

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
138453573	PubChem
The data in this table is sourced from UniChem at EBI.